1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide

C19H22ClN3O — CID 136579030

IUPAC1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-18-7-6-16(12-21-18)13-22-19(24)17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,24)
InChIKeyZBOQPZPJZWBDEY-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.26
Rot. Bonds5

About 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide

1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 136579030) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID136579030
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-18-7-6-16(12-21-18)13-22-19(24)17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,24)
InChIKeyZBOQPZPJZWBDEY-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60532408
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 136579030) is 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)nc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZBOQPZPJZWBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-7-6-16(12-21-18)13-22-19(24)17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,24).
What are the key properties of 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136579030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).