(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide

C19H29N3O — CID 95351485

IUPAC(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-16-8-5-6-12-21(16)14-17-9-7-13-22(15-17)19(23)20-18-10-3-2-4-11-18/h2-4,10-11,16-17H,5-9,12-15H2,1H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyPBDNONQNQCANRD-IRXDYDNUSA-N
MW315.46 g/mol
LogP3.80
Rot. Bonds3

About (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95351485) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID95351485
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-16-8-5-6-12-21(16)14-17-9-7-13-22(15-17)19(23)20-18-10-3-2-4-11-18/h2-4,10-11,16-17H,5-9,12-15H2,1H3,(H,20,23)/t16-,17-/m0/s1
InChIKeyPBDNONQNQCANRD-IRXDYDNUSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125135280
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-N-(3-fluorophenyl)-3-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 129422804
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95145547
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide (CID 95351485) is (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide is C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is PBDNONQNQCANRD-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-8-5-6-12-21(16)14-17-9-7-13-22(15-17)19(23)20-18-10-3-2-4-11-18/h2-4,10-11,16-17H,5-9,12-15H2,1H3,(H,20,23)/t16-,17-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95351485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).