[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

C24H24N2O2 — CID 95808958

IUPAC[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H24N2O2/c1-28-21-14-12-18(13-15-21)22-10-5-11-23(25-22)20-9-6-16-26(17-20)24(27)19-7-3-2-4-8-19/h2-5,7-8,10-15,20H,6,9,16-17H2,1H3/t20-/m0/s1
InChIKeyXVMFMWQWUULZNI-FQEVSTJZSA-N
MW372.47 g/mol
LogP4.78
Rot. Bonds4

About [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95808958) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID95808958
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H24N2O2/c1-28-21-14-12-18(13-15-21)22-10-5-11-23(25-22)20-9-6-16-26(17-20)24(27)19-7-3-2-4-8-19/h2-5,7-8,10-15,20H,6,9,16-17H2,1H3/t20-/m0/s1
InChIKeyXVMFMWQWUULZNI-FQEVSTJZSA-N
XLogP4.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110249739
[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95810095
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 95808958) is [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1.
What is the InChIKey of [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is XVMFMWQWUULZNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-28-21-14-12-18(13-15-21)22-10-5-11-23(25-22)20-9-6-16-26(17-20)24(27)19-7-3-2-4-8-19/h2-5,7-8,10-15,20H,6,9,16-17H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 372.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95808958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).