4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride

C17H19Cl2N3O — CID 67239168

IUPAC4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCCNC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O.ClH/c18-15-6-3-12(4-7-15)17(22)21-16-8-5-14(11-20-16)13-2-1-9-19-10-13;/h3-8,11,13,19H,1-2,9-10H2,(H,20,21,22);1H
InChIKeyXRBQWGWNZDENCY-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.88
Rot. Bonds3

About 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride

4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride (PubChem CID 67239168) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride
PubChem CID67239168
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCCNC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O.ClH/c18-15-6-3-12(4-7-15)17(22)21-16-8-5-14(11-20-16)13-2-1-9-19-10-13;/h3-8,11,13,19H,1-2,9-10H2,(H,20,21,22);1H
InChIKeyXRBQWGWNZDENCY-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
4-cyclohexyl-N-(5-hydroxy-2-pyridinyl)benzamide
CID 135137479
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone
CID 58315649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride (CID 67239168) is 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc(C2CCCNC2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride?
The InChIKey is XRBQWGWNZDENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O.ClH/c18-15-6-3-12(4-7-15)17(22)21-16-8-5-14(11-20-16)13-2-1-9-19-10-13;/h3-8,11,13,19H,1-2,9-10H2,(H,20,21,22);1H.
What are the key properties of 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride?
4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride has a molecular weight of 352.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride is sourced from PubChem (CID 67239168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).