(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

C40H76N8O3 — CID 159868786

IUPAC(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)[C@@H]1CCCCN1C1CCN(C)CC1
InChIInChI=1S/C14H26N2O.2C13H25N3O/c1-3-14(17)16-9-5-4-6-13(16)12-7-10-15(2)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-13(17)16-8-4-3-5-12(16)11-6-9-15(2)10-7-11/h12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3,(H,14,17)/t;12-;/m.0./s1
InChIKeyNSBKVZLJJYDENE-JJRNEHELSA-N
MW717.10 g/mol
LogP4.32
Rot. Bonds5

About (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 159868786) has the molecular formula C40H76N8O3 and a molecular weight of 717.10 g/mol. Its IUPAC name is (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID159868786
Molecular FormulaC40H76N8O3
Molecular Weight717.10 g/mol
Exact Mass716.60
IUPAC Name(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)[C@@H]1CCCCN1C1CCN(C)CC1
InChIInChI=1S/C14H26N2O.2C13H25N3O/c1-3-14(17)16-9-5-4-6-13(16)12-7-10-15(2)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-13(17)16-8-4-3-5-12(16)11-6-9-15(2)10-7-11/h12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3,(H,14,17)/t;12-;/m.0./s1
InChIKeyNSBKVZLJJYDENE-JJRNEHELSA-N
XLogP4.32
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.10
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(1,4'-Bipiperidine)-1',4'-dicarboxamide, N(sup 1'),N(sup 1''')-1,2-ethanediylbis(N(sup 1')-butyl-
CID 218625
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
CID 134804486
3,3-diamino-2-(2-cyclopentyl-5-fluoro-1,3-diazinan-2-yl)-N-[4-[6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-3-yl]piperidin-3-yl]propanamide
CID 123973656
3,3-diamino-2-(5-cyclopentyl-5-fluoro-1,3-diazinan-2-yl)-N-[4-[(6R)-6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-3-yl]piperidin-3-yl]propanamide
CID 155150646
3,3-diamino-2-(5-fluoro-1-pentan-2-yl-1,3-diazinan-2-yl)-N-[4-[(6R)-6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-3-yl]piperidin-3-yl]propanamide
CID 156280823
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;N-[4-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]butyl]-5-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexanamide;2-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)octanamide;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54455585
2-[3,5-Bis[2-amino-2-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 57316011
3,3,5,5,7-Pentakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,4-diazepan-2-one
CID 70511721
N-[1-[[2-[1-[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 70940073
N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
CID 134565752
(3S)-1-[(2S)-1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-4,7-dimethyl-8-[(2S)-4-[(2S)-4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-oxopiperazin-2-yl]-1-oxooctan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138749002

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 159868786) is (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)N1CCCCC1C1CCN(C)CC1.CNC(=O)[C@@H]1CCCCN1C1CCN(C)CC1.
What is the InChIKey of (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is NSBKVZLJJYDENE-JJRNEHELSA-N. The full InChI is InChI=1S/C14H26N2O.2C13H25N3O/c1-3-14(17)16-9-5-4-6-13(16)12-7-10-15(2)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-13(17)16-8-4-3-5-12(16)11-6-9-15(2)10-7-11/h12-13H,3-11H2,1-2H3;2*11-12H,3-10H2,1-2H3,(H,14,17)/t;12-;/m.0./s1.
What are the key properties of (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 717.10 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 159868786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).