N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

C17H18ClN3O — CID 3751158

IUPACN-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H18ClN3O/c18-14-6-3-7-15(11-14)20-17(22)21-10-2-1-8-16(21)13-5-4-9-19-12-13/h3-7,9,11-12,16H,1-2,8,10H2,(H,20,22)
InChIKeyWMFUXKHRHUOOFY-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.49
Rot. Bonds2

About N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 3751158) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID3751158
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H18ClN3O/c18-14-6-3-7-15(11-14)20-17(22)21-10-2-1-8-16(21)13-5-4-9-19-12-13/h3-7,9,11-12,16H,1-2,8,10H2,(H,20,22)
InChIKeyWMFUXKHRHUOOFY-UHFFFAOYSA-N
XLogP4.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 118785958
(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636964
(1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92734670

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 3751158) is N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCCC1c1cccnc1.
What is the InChIKey of N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is WMFUXKHRHUOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-6-3-7-15(11-14)20-17(22)21-10-2-1-8-16(21)13-5-4-9-19-12-13/h3-7,9,11-12,16H,1-2,8,10H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 3751158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).