1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C18H20ClN3O — CID 60565468

IUPAC1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-8-9-17(20-11-16)21-18(23)15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,20,21,23)
InChIKeyPSXQBKZMFXHVNZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.59
Rot. Bonds4

About 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 60565468) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID60565468
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-8-9-17(20-11-16)21-18(23)15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,20,21,23)
InChIKeyPSXQBKZMFXHVNZ-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide
CID 56525542
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 60565468) is 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PSXQBKZMFXHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-8-9-17(20-11-16)21-18(23)15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,20,21,23).
What are the key properties of 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 60565468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).