(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide

C19H31N5O — CID 95762764

IUPAC(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCCC2)C1
InChIInChI=1S/C19H31N5O/c1-22(2)17-9-7-13-24(15-17)19(25)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeySBZKSVSSKFPCDN-KRWDZBQOSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds4

About (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide

(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 95762764) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID95762764
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCCC2)C1
InChIInChI=1S/C19H31N5O/c1-22(2)17-9-7-13-24(15-17)19(25)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeySBZKSVSSKFPCDN-KRWDZBQOSA-N
XLogP2.31
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 166217241
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
3-(dimethylamino)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 127744055
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126427006
3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 128684988
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide (CID 95762764) is (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide is CN(C)[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCCC2)C1.
What is the InChIKey of (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is SBZKSVSSKFPCDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22(2)17-9-7-13-24(15-17)19(25)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide?
(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95762764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).