5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one

C19H22ClN3O2 — CID 119469651

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
SMILESNCC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c20-17-7-2-1-5-14(17)12-22-13-15(8-9-18(22)24)19(25)23-10-4-3-6-16(23)11-21/h1-2,5,7-9,13,16H,3-4,6,10-12,21H2
InChIKeyJTPHIGHUMAFSEF-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.50
Rot. Bonds4

About 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one

5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one (PubChem CID 119469651) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
PubChem CID119469651
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
SMILESNCC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c20-17-7-2-1-5-14(17)12-22-13-15(8-9-18(22)24)19(25)23-10-4-3-6-16(23)11-21/h1-2,5,7-9,13,16H,3-4,6,10-12,21H2
InChIKeyJTPHIGHUMAFSEF-UHFFFAOYSA-N
XLogP2.50
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528245
N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
CID 24550444
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
(3S,4S)-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953492
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]methanone
CID 119632608

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one (CID 119469651) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one is NCC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one?
The InChIKey is JTPHIGHUMAFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-7-2-1-5-14(17)12-22-13-15(8-9-18(22)24)19(25)23-10-4-3-6-16(23)11-21/h1-2,5,7-9,13,16H,3-4,6,10-12,21H2.
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one?
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one has a molecular weight of 359.86 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 119469651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).