[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

C27H35NO — CID 13409085

IUPAC[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1CCCCC1C1CCCCC1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H35NO/c1-21(20-28-18-9-8-17-26(28)22-11-4-2-5-12-22)24-15-10-16-25(19-24)27(29)23-13-6-3-7-14-23/h3,6-7,10,13-16,19,21-22,26H,2,4-5,8-9,11-12,17-18,20H2,1H3
InChIKeyLPAUBGYFXKGKGY-UHFFFAOYSA-N
MW389.58 g/mol
LogP6.46
Rot. Bonds6

About [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (PubChem CID 13409085) has the molecular formula C27H35NO and a molecular weight of 389.58 g/mol. Its IUPAC name is [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
PubChem CID13409085
Molecular FormulaC27H35NO
Molecular Weight389.58 g/mol
Exact Mass389.27
IUPAC Name[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1CCCCC1C1CCCCC1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H35NO/c1-21(20-28-18-9-8-17-26(28)22-11-4-2-5-12-22)24-15-10-16-25(19-24)27(29)23-13-6-3-7-14-23/h3,6-7,10,13-16,19,21-22,26H,2,4-5,8-9,11-12,17-18,20H2,1H3
InChIKeyLPAUBGYFXKGKGY-UHFFFAOYSA-N
XLogP6.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(3-methylphenyl)methanone
CID 13409089
N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide
CID 70524385
2-(3-benzoylphenyl)-1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-1-one
CID 12805058
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
CID 46211146
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-one
CID 62613737
3-[(2-cyclohexylpyrrolidin-1-yl)methyl]benzoic acid
CID 122028648
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
CID 66964934
CID 66964934

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (CID 13409085) is [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is CC(CN1CCCCC1C1CCCCC1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The InChIKey is LPAUBGYFXKGKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO/c1-21(20-28-18-9-8-17-26(28)22-11-4-2-5-12-22)24-15-10-16-25(19-24)27(29)23-13-6-3-7-14-23/h3,6-7,10,13-16,19,21-22,26H,2,4-5,8-9,11-12,17-18,20H2,1H3.
What are the key properties of [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
[3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone has a molecular weight of 389.58 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-cyclohexylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 13409085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).