(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone

C54H100N8O8 — CID 162206079

IUPAC(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCCCN2)CCO1.CC(C)C1CN(C(=O)C2CCCN(C)C2)CCO1.CC(C)C1CN(C(=O)C2CCCNC2)CCO1.CC(C)C1CN(C(=O)CC2CCNCC2)CCO1
InChIInChI=1S/2C14H26N2O2.2C13H24N2O2/c1-11(2)13-10-16(7-8-18-13)14(17)12-5-4-6-15(3)9-12;1-11(2)13-10-16(7-8-18-13)14(17)9-12-3-5-15-6-4-12;1-10(2)12-9-15(6-7-17-12)13(16)11-4-3-5-14-8-11;1-10(2)12-9-15(7-8-17-12)13(16)11-5-3-4-6-14-11/h11-13H,4-10H2,1-3H3;11-13,15H,3-10H2,1-2H3;2*10-12,14H,3-9H2,1-2H3
InChIKeyZSEZDIMTRZCWJS-UHFFFAOYSA-N
MW989.44 g/mol
LogP4.35
Rot. Bonds9

About (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone

(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone (PubChem CID 162206079) has the molecular formula C54H100N8O8 and a molecular weight of 989.44 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone
PubChem CID162206079
Molecular FormulaC54H100N8O8
Molecular Weight989.44 g/mol
Exact Mass988.77
IUPAC Name(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCCCN2)CCO1.CC(C)C1CN(C(=O)C2CCCN(C)C2)CCO1.CC(C)C1CN(C(=O)C2CCCNC2)CCO1.CC(C)C1CN(C(=O)CC2CCNCC2)CCO1
InChIInChI=1S/2C14H26N2O2.2C13H24N2O2/c1-11(2)13-10-16(7-8-18-13)14(17)12-5-4-6-15(3)9-12;1-11(2)13-10-16(7-8-18-13)14(17)9-12-3-5-15-6-4-12;1-10(2)12-9-15(6-7-17-12)13(16)11-4-3-5-14-8-11;1-10(2)12-9-15(7-8-17-12)13(16)11-5-3-4-6-14-11/h11-13H,4-10H2,1-3H3;11-13,15H,3-10H2,1-2H3;2*10-12,14H,3-9H2,1-2H3
InChIKeyZSEZDIMTRZCWJS-UHFFFAOYSA-N
XLogP4.35
TPSA157.49 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.44
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-(Dimethylamino)ethyl 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoate;[2-(dimethylamino)-2-oxoethyl] 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoate;3-(dimethylamino)propyl 2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]acetate;3-morpholin-4-ylpropyl 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]propanoate;3-(2-oxopiperidin-1-yl)propyl 2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]acetate
CID 124015425
1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide
CID 157491278
1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-4-carboxamide;3,3-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butan-1-one;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]propanamide;2-propan-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157616871
4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 158251010
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;4-(2,2-dimethylpropoxy)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 158331586
1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2R)-1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2S)-1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2R)-4-propan-2-ylmorpholine-2-carboxamide;(2S)-4-propan-2-ylmorpholine-2-carboxamide;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-2-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-4-propan-2-ylpiperazine-2-carboxamide;(2S)-4-propan-2-ylpiperazine-2-carboxamide;4-propan-2-ylpiperazine-2-carboxamide;1-propan-2-ylpiperidine-3-carboxamide;(3R)-1-propan-2-ylpiperidine-3-carboxamide;(3S)-1-propan-2-ylpiperidine-3-carboxamide
CID 158363184
3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;methane;2-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158665304
N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 158796046
1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine
CID 158833060
1-[2-(tert-butylamino)acetyl]-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N-(3,3-dimethylbutyl)-1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide;3,3-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butan-1-one;5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide;5,5-dimethyl-1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexan-1-one;2,2-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]propanamide;2-propan-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158920712
(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 159105749
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 159363779

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone (CID 162206079) is (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone is CC(C)C1CN(C(=O)C2CCCCN2)CCO1.CC(C)C1CN(C(=O)C2CCCN(C)C2)CCO1.CC(C)C1CN(C(=O)C2CCCNC2)CCO1.CC(C)C1CN(C(=O)CC2CCNCC2)CCO1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone?
The InChIKey is ZSEZDIMTRZCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2O2.2C13H24N2O2/c1-11(2)13-10-16(7-8-18-13)14(17)12-5-4-6-15(3)9-12;1-11(2)13-10-16(7-8-18-13)14(17)9-12-3-5-15-6-4-12;1-10(2)12-9-15(6-7-17-12)13(16)11-4-3-5-14-8-11;1-10(2)12-9-15(7-8-17-12)13(16)11-5-3-4-6-14-11/h11-13H,4-10H2,1-3H3;11-13,15H,3-10H2,1-2H3;2*10-12,14H,3-9H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone?
(1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone has a molecular weight of 989.44 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 162206079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).