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

C30H34N2O3 — CID 71133934

IUPAC[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate
SMILESCC(CNC(=O)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H34N2O3/c1-24(26-13-7-3-8-14-26)23-31-29(34)35-30(27-15-9-4-10-16-27)19-21-32(22-20-30)28(33)18-17-25-11-5-2-6-12-25/h2-16,24H,17-23H2,1H3,(H,31,34)
InChIKeyOBPVZWFMMDAOFX-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.67
Rot. Bonds8

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

[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate (PubChem CID 71133934) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate.

Molecular Properties

Compound Name[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate
PubChem CID71133934
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate
SMILESCC(CNC(=O)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H34N2O3/c1-24(26-13-7-3-8-14-26)23-31-29(34)35-30(27-15-9-4-10-16-27)19-21-32(22-20-30)28(33)18-17-25-11-5-2-6-12-25/h2-16,24H,17-23H2,1H3,(H,31,34)
InChIKeyOBPVZWFMMDAOFX-UHFFFAOYSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US8592410, Comparator 7
CID 53473394
2-((S)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)acetamide
CID 53473234
N-(2-((R)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)ethyl)acetamide
CID 53473320
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
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 58109207
3-((R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propanamide
CID 59635802
[1-((3S,4S)-1-Cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester
CID 490016
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
3-[(6R)-2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanamide
CID 59635713
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-(Benzylcarbamoil)Ethyl)Phenyl)(Phenyl)Methylbenzylcarbamate
CID 46837592

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate?
The IUPAC name of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate (CID 71133934) is [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate.
What is the SMILES notation for [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate?
The canonical SMILES for [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate is CC(CNC(=O)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate?
The InChIKey is OBPVZWFMMDAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-24(26-13-7-3-8-14-26)23-31-29(34)35-30(27-15-9-4-10-16-27)19-21-32(22-20-30)28(33)18-17-25-11-5-2-6-12-25/h2-16,24H,17-23H2,1H3,(H,31,34).
What are the key properties of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate?
[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate has a molecular weight of 470.61 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-(3-phenylpropanoyl)piperidin-4-yl] N-(2-phenylpropyl)carbamate is sourced from PubChem (CID 71133934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).