[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate

C28H36N2O3 — CID 71133995

IUPAC[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C28H36N2O3/c31-26(24-14-6-2-7-15-24)30-21-18-28(19-22-30,25-16-8-3-9-17-25)33-27(32)29-20-10-13-23-11-4-1-5-12-23/h1,3-5,8-9,11-12,16-17,24H,2,6-7,10,13-15,18-22H2,(H,29,32)
InChIKeyXCQKBSSITRQXLL-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.44
Rot. Bonds7

About [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate

[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate (PubChem CID 71133995) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
PubChem CID71133995
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C28H36N2O3/c31-26(24-14-6-2-7-15-24)30-21-18-28(19-22-30,25-16-8-3-9-17-25)33-27(32)29-20-10-13-23-11-4-1-5-12-23/h1,3-5,8-9,11-12,16-17,24H,2,6-7,10,13-15,18-22H2,(H,29,32)
InChIKeyXCQKBSSITRQXLL-UHFFFAOYSA-N
XLogP5.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
benzyl N-[(2S)-1-oxo-1-(4-phenylpiperidin-1-yl)-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71455725
7-[(2R)-2-amino-3-phenylpropanoyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 44560593
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
4-Piperidinol, 1-methyl-4-phenyl-, diphenylacetate, hydrochloride
CID 3048627
[[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 3-benzyl-4-oxopiperidine-1-carboxylate
CID 44366601
benzyl (2R)-2-[(1R,2R)-2-[[(2R)-2-[(1R,2R)-2-[[2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]amino]cyclohexyl]butanoyl]amino]cyclohexyl]butanoate
CID 132034107
benzyl N-[(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 44764716

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate (CID 71133995) is [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
The InChIKey is XCQKBSSITRQXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c31-26(24-14-6-2-7-15-24)30-21-18-28(19-22-30,25-16-8-3-9-17-25)33-27(32)29-20-10-13-23-11-4-1-5-12-23/h1,3-5,8-9,11-12,16-17,24H,2,6-7,10,13-15,18-22H2,(H,29,32).
What are the key properties of [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate?
[1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate has a molecular weight of 448.61 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexanecarbonyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 71133995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).