1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid

C17H17ClN2O2 — CID 45274288

IUPAC1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-11-19-10-14(12-4-2-1-3-5-12)16(15)20-8-6-13(7-9-20)17(21)22/h1-5,10-11,13H,6-9H2,(H,21,22)
InChIKeyZCZHRLDATCLESK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.70
Rot. Bonds3

About 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid

1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 45274288) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID45274288
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-11-19-10-14(12-4-2-1-3-5-12)16(15)20-8-6-13(7-9-20)17(21)22/h1-5,10-11,13H,6-9H2,(H,21,22)
InChIKeyZCZHRLDATCLESK-UHFFFAOYSA-N
XLogP3.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778
1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 45275571
N-[2-(benzylamino)ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
CID 45275022
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
CID 58378262
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
2-benzyl-4-[1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid
CID 67338817
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
CID 70900591
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-[3-chloro-5-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]piperidine-4-carboxamide
CID 175270924
[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
CID 146145536

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid (CID 45274288) is 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1.
What is the InChIKey of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is ZCZHRLDATCLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-11-19-10-14(12-4-2-1-3-5-12)16(15)20-8-6-13(7-9-20)17(21)22/h1-5,10-11,13H,6-9H2,(H,21,22).
What are the key properties of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid?
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 316.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45274288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).