N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide

C18H18ClN3O2 — CID 110821025

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccn1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-3-4-13(12-14)18(24)22-10-7-15(8-11-22)21-17(23)16-6-1-2-9-20-16/h1-6,9,12,15H,7-8,10-11H2,(H,21,23)
InChIKeyHASULPJIEYIUBG-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 110821025) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID110821025
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccn1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-3-4-13(12-14)18(24)22-10-7-15(8-11-22)21-17(23)16-6-1-2-9-20-16/h1-6,9,12,15H,7-8,10-11H2,(H,21,23)
InChIKeyHASULPJIEYIUBG-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide (CID 110821025) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccn1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is HASULPJIEYIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-5-3-4-13(12-14)18(24)22-10-7-15(8-11-22)21-17(23)16-6-1-2-9-20-16/h1-6,9,12,15H,7-8,10-11H2,(H,21,23).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110821025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).