[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate

C31H34N2O3 — CID 71133891

IUPAC[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C31H34N2O3/c34-29(28-23-27(28)25-14-6-2-7-15-25)33-21-18-31(19-22-33,26-16-8-3-9-17-26)36-30(35)32-20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,27-28H,10,13,18-23H2,(H,32,35)
InChIKeyJHPBWYJBNAZVDP-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.67
Rot. Bonds8

About [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate

[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate (PubChem CID 71133891) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
PubChem CID71133891
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC Name[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C31H34N2O3/c34-29(28-23-27(28)25-14-6-2-7-15-25)33-21-18-31(19-22-33,26-16-8-3-9-17-26)36-30(35)32-20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,27-28H,10,13,18-23H2,(H,32,35)
InChIKeyJHPBWYJBNAZVDP-UHFFFAOYSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-((R)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-N-methylpropanamide
CID 53473395
N-[3-(4-Hydroxy-4-phenyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
CID 10574568
[[3-[1-(cyclohexylamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-cyclohexylcarbamate
CID 46837590
[[3-[1-oxo-1-(2-phenylethylamino)propan-2-yl]phenyl]-phenylmethyl] N-(2-phenylethyl)carbamate
CID 46837725
[[3-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-(cyclohexylmethyl)carbamate
CID 46837591
benzyl N-[(2S)-1-(2,2-diphenylethylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 127031903
benzyl N-[(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 44764716
benzyl N-[6-[4-(4-fluorophenyl)piperidin-1-yl]-6-oxohexyl]carbamate
CID 44764839
benzyl N-[4-[4-(4-fluorophenyl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 44765110
[4-(4-Fluorophenyl)-1-[3-(5-oxo-4,4-diphenylpyrrolidin-3-yl)propyl]piperidin-4-yl] propanoate
CID 20544110
Benzyl 4-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]-4-phenylpiperidine-1-carboxylate
CID 23600716
Benzyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylate
CID 23600717

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate (CID 71133891) is [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The InChIKey is JHPBWYJBNAZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c34-29(28-23-27(28)25-14-6-2-7-15-25)33-21-18-31(19-22-33,26-16-8-3-9-17-26)36-30(35)32-20-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,27-28H,10,13,18-23H2,(H,32,35).
What are the key properties of [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
[4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate has a molecular weight of 482.62 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 71133891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).