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

C18H18ClN3O2 — CID 47797182

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Cl)CC1)c1cccnc1
InChIInChI=1S/C18H18ClN3O2/c19-16-6-2-1-5-15(16)18(24)22-10-7-14(8-11-22)21-17(23)13-4-3-9-20-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,21,23)
InChIKeyIRNVGGYGLPVEPR-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.77
Rot. Bonds3

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

N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47797182) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47797182
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Cl)CC1)c1cccnc1
InChIInChI=1S/C18H18ClN3O2/c19-16-6-2-1-5-15(16)18(24)22-10-7-14(8-11-22)21-17(23)13-4-3-9-20-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,21,23)
InChIKeyIRNVGGYGLPVEPR-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-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 47797182) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2Cl)CC1)c1cccnc1.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is IRNVGGYGLPVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-16-6-2-1-5-15(16)18(24)22-10-7-14(8-11-22)21-17(23)13-4-3-9-20-12-13/h1-6,9,12,14H,7-8,10-11H2,(H,21,23).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-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-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47797182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).