3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one

C29H30N2O — CID 91475456

IUPAC3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H30N2O/c32-29-27(21-25-13-7-8-14-28(25)30-29)24-15-18-31(19-16-24)20-17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,24,26H,15-20H2,(H,30,32)
InChIKeySEDXBCZMECIMQL-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.93
Rot. Bonds6

About 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one

3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one (PubChem CID 91475456) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
PubChem CID91475456
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H30N2O/c32-29-27(21-25-13-7-8-14-28(25)30-29)24-15-18-31(19-16-24)20-17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,24,26H,15-20H2,(H,30,32)
InChIKeySEDXBCZMECIMQL-UHFFFAOYSA-N
XLogP5.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
CID 71197765
3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
CID 91511862
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719
(3aR,7aS)-3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 10112700
1-(3,3-diphenylpropyl)-4-ethenylpiperidine
CID 89209836
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
ethyl 6-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 58386736
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
CID 56821592
N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane
CID 142953954
(4aR,8aS)-1-(2,2-diphenylethyl)-6-(1H-indol-2-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 42434571

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one (CID 91475456) is 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one?
The InChIKey is SEDXBCZMECIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c32-29-27(21-25-13-7-8-14-28(25)30-29)24-15-18-31(19-16-24)20-17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,24,26H,15-20H2,(H,30,32).
What are the key properties of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one?
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one has a molecular weight of 422.57 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 91475456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).