(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide

C28H36N2O — CID 44524823

IUPAC(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide
SMILESCc1cccc(C)c1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C28H36N2O/c1-21-7-6-8-22(2)28(21)24-17-19-30(20-18-24)26-14-12-25(13-15-26)29-27(31)16-11-23-9-4-3-5-10-23/h3-11,16,24-26H,12-15,17-20H2,1-2H3,(H,29,31)/b16-11+
InChIKeyKIEQDHOGGRRWQH-LFIBNONCSA-N
MW416.61 g/mol
LogP5.62
Rot. Bonds5

About (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide

(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide (PubChem CID 44524823) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide
PubChem CID44524823
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC Name(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide
SMILESCc1cccc(C)c1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C28H36N2O/c1-21-7-6-8-22(2)28(21)24-17-19-30(20-18-24)26-14-12-25(13-15-26)29-27(31)16-11-23-9-4-3-5-10-23/h3-11,16,24-26H,12-15,17-20H2,1-2H3,(H,29,31)/b16-11+
InChIKeyKIEQDHOGGRRWQH-LFIBNONCSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 155289395
5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
CID 155289396
(E)-3-(3,5-difluorophenyl)-N-(3-((4-(3,4-difluorophenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
CID 44444114
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(1-naphthyl)acrylamide
CID 1337150
N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6622193
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]cinnamide
CID 13767784
(E)-N-(2-{4-[Methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-3-(2-methylphenyl)-2-propenamide
CID 16193538
(E)-3-(3-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525802
(E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525803
(E)-3-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525809
(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525812
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525815

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide (CID 44524823) is (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide is Cc1cccc(C)c1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1.
What is the InChIKey of (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide?
The InChIKey is KIEQDHOGGRRWQH-LFIBNONCSA-N. The full InChI is InChI=1S/C28H36N2O/c1-21-7-6-8-22(2)28(21)24-17-19-30(20-18-24)26-14-12-25(13-15-26)29-27(31)16-11-23-9-4-3-5-10-23/h3-11,16,24-26H,12-15,17-20H2,1-2H3,(H,29,31)/b16-11+.
What are the key properties of (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide?
(E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide has a molecular weight of 416.61 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(2,6-dimethylphenyl)piperidin-1-yl]cyclohexyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 44524823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).