3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C50H100N8O4 — CID 161058423

IUPAC3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)N)CC1.CC(C)C1CCN(C(=O)CC(C)(C)N)CC1.CC(C)C1CCN(C(=O)CCN(C)C)CC1.CC(C)C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/2C13H26N2O.2C12H24N2O/c1-11(2)12-5-9-15(10-6-12)13(16)7-8-14(3)4;1-10(2)11-5-7-15(8-6-11)12(16)9-13(3,4)14;1-10(2)11-5-7-14(8-6-11)12(15)9-13(3)4;1-9(2)10-5-7-14(8-6-10)11(15)12(3,4)13/h11-12H,5-10H2,1-4H3;10-11H,5-9,14H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8,13H2,1-4H3
InChIKeyUDBKXVVCRXEGAR-UHFFFAOYSA-N
MW877.40 g/mol
LogP6.90
Rot. Bonds12

About 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 161058423) has the molecular formula C50H100N8O4 and a molecular weight of 877.40 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID161058423
Molecular FormulaC50H100N8O4
Molecular Weight877.40 g/mol
Exact Mass876.79
IUPAC Name3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)N)CC1.CC(C)C1CCN(C(=O)CC(C)(C)N)CC1.CC(C)C1CCN(C(=O)CCN(C)C)CC1.CC(C)C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/2C13H26N2O.2C12H24N2O/c1-11(2)12-5-9-15(10-6-12)13(16)7-8-14(3)4;1-10(2)11-5-7-15(8-6-11)12(16)9-13(3,4)14;1-10(2)11-5-7-14(8-6-11)12(15)9-13(3)4;1-9(2)10-5-7-14(8-6-10)11(15)12(3,4)13/h11-12H,5-10H2,1-4H3;10-11H,5-9,14H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8,13H2,1-4H3
InChIKeyUDBKXVVCRXEGAR-UHFFFAOYSA-N
XLogP6.90
TPSA139.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.40
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[[2-[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 54531064
N-[6-[[2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 58003096
N-[3-[[2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 59345609
N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 59345625
2-[4-[4-[2-[[2-[4-(Piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 142390578
N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142390739
2,3-Dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride
CID 157211032
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-(propan-2-ylamino)piperidine-4-carboxamide;1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 157734997
3,3,5,5-Tetramethyl-1-[2-[3,3,5,5-tetramethyl-6-oxo-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]ethyl]-6,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-2-one
CID 158374000
2-[Di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl]piperidin-1-yl]ethanone;3-[di(nonyl)amino]-1-[4-[3-[2-[di(nonyl)amino]ethyl-nonylamino]propanoyl]piperazin-1-yl]propan-1-one;1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(tetradecyl)amino]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 158555530
2-(4-Acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 158750647
N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 159200079

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 161058423) is 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)C(C)(C)N)CC1.CC(C)C1CCN(C(=O)CC(C)(C)N)CC1.CC(C)C1CCN(C(=O)CCN(C)C)CC1.CC(C)C1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is UDBKXVVCRXEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2O.2C12H24N2O/c1-11(2)12-5-9-15(10-6-12)13(16)7-8-14(3)4;1-10(2)11-5-7-15(8-6-11)12(16)9-13(3,4)14;1-10(2)11-5-7-14(8-6-11)12(15)9-13(3)4;1-9(2)10-5-7-14(8-6-10)11(15)12(3,4)13/h11-12H,5-10H2,1-4H3;10-11H,5-9,14H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8,13H2,1-4H3.
What are the key properties of 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 877.40 g/mol, XLogP of 6.90, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 161058423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).