1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C26H26N2O2 — CID 25288026

IUPAC1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCc2ccccn2)C1
InChIInChI=1S/C26H26N2O2/c29-25(16-15-24-10-4-5-17-27-24)28-18-6-9-23(19-28)26(30)22-13-11-21(12-14-22)20-7-2-1-3-8-20/h1-5,7-8,10-14,17,23H,6,9,15-16,18-19H2/t23-/m0/s1
InChIKeyZHVDROZKQHCTLR-QHCPKHFHSA-N
MW398.51 g/mol
LogP4.80
Rot. Bonds6

About 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 25288026) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID25288026
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCc2ccccn2)C1
InChIInChI=1S/C26H26N2O2/c29-25(16-15-24-10-4-5-17-27-24)28-18-6-9-23(19-28)26(30)22-13-11-21(12-14-22)20-7-2-1-3-8-20/h1-5,7-8,10-14,17,23H,6,9,15-16,18-19H2/t23-/m0/s1
InChIKeyZHVDROZKQHCTLR-QHCPKHFHSA-N
XLogP4.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 42096263
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289949
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 25288026) is 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCc2ccccn2)C1.
What is the InChIKey of 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is ZHVDROZKQHCTLR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(16-15-24-10-4-5-17-27-24)28-18-6-9-23(19-28)26(30)22-13-11-21(12-14-22)20-7-2-1-3-8-20/h1-5,7-8,10-14,17,23H,6,9,15-16,18-19H2/t23-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 398.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 25288026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).