1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone

C18H19ClN2O — CID 95825184

IUPAC1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2ccc(-c3ccc(Cl)cc3)cn2)C1
InChIInChI=1S/C18H19ClN2O/c1-13(22)21-10-2-3-16(12-21)18-9-6-15(11-20-18)14-4-7-17(19)8-5-14/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1
InChIKeyVGTWESRASIJPKF-MRXNPFEDSA-N
MW314.82 g/mol
LogP4.13
Rot. Bonds2

About 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95825184) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95825184
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2ccc(-c3ccc(Cl)cc3)cn2)C1
InChIInChI=1S/C18H19ClN2O/c1-13(22)21-10-2-3-16(12-21)18-9-6-15(11-20-18)14-4-7-17(19)8-5-14/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1
InChIKeyVGTWESRASIJPKF-MRXNPFEDSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95834066
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 92616437
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
[4-[6-(1-methylpiperidin-3-yl)-3-pyridinyl]phenyl]methanol
CID 110257480
1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95825184) is 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(Cl)cc3)cn2)C1.
What is the InChIKey of 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is VGTWESRASIJPKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13(22)21-10-2-3-16(12-21)18-9-6-15(11-20-18)14-4-7-17(19)8-5-14/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 314.82 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).