1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide

C17H18ClN3O2 — CID 71935267

IUPAC1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-1-6-16(19-11-13)21-9-7-12(8-10-21)17(23)20-14-2-4-15(22)5-3-14/h1-6,11-12,22H,7-10H2,(H,20,23)
InChIKeyWAXZPRHMCKRSRW-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 71935267) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID71935267
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-1-6-16(19-11-13)21-9-7-12(8-10-21)17(23)20-14-2-4-15(22)5-3-14/h1-6,11-12,22H,7-10H2,(H,20,23)
InChIKeyWAXZPRHMCKRSRW-UHFFFAOYSA-N
XLogP3.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

S-[4-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579710
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55783863
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
1-(5-chloro-2-pyridinyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 55866284
1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 55958876
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38969415
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 56582300
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 71935267) is 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is WAXZPRHMCKRSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-1-6-16(19-11-13)21-9-7-12(8-10-21)17(23)20-14-2-4-15(22)5-3-14/h1-6,11-12,22H,7-10H2,(H,20,23).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 71935267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).