1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C19H20ClN3O2 — CID 3472038

IUPAC1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-4-15(5-7-16)19(25)23-11-8-14(9-12-23)18(24)22-13-17-3-1-2-10-21-17/h1-7,10,14H,8-9,11-13H2,(H,22,24)
InChIKeyVMEJKWAKSCAORW-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3472038) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3472038
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-4-15(5-7-16)19(25)23-11-8-14(9-12-23)18(24)22-13-17-3-1-2-10-21-17/h1-7,10,14H,8-9,11-13H2,(H,22,24)
InChIKeyVMEJKWAKSCAORW-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 70725617
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3472038) is 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VMEJKWAKSCAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-6-4-15(5-7-16)19(25)23-11-8-14(9-12-23)18(24)22-13-17-3-1-2-10-21-17/h1-7,10,14H,8-9,11-13H2,(H,22,24).
What are the key properties of 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3472038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).