4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide

C32H38FN3O2 — CID 157010706

IUPAC4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCC(=O)N(Cc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C32H38FN3O2/c1-2-30(37)36(25-28-12-7-4-8-13-28)32(31(38)34-20-16-27-14-9-15-29(33)24-27)18-22-35(23-19-32)21-17-26-10-5-3-6-11-26/h3-15,24H,2,16-23,25H2,1H3,(H,34,38)
InChIKeySZQGSEKOXWECKF-UHFFFAOYSA-N
MW515.67 g/mol
LogP5.00
Rot. Bonds11

About 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide

4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 157010706) has the molecular formula C32H38FN3O2 and a molecular weight of 515.67 g/mol. Its IUPAC name is 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID157010706
Molecular FormulaC32H38FN3O2
Molecular Weight515.67 g/mol
Exact Mass515.29
IUPAC Name4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCC(=O)N(Cc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C32H38FN3O2/c1-2-30(37)36(25-28-12-7-4-8-13-28)32(31(38)34-20-16-27-14-9-15-29(33)24-27)18-22-35(23-19-32)21-17-26-10-5-3-6-11-26/h3-15,24H,2,16-23,25H2,1H3,(H,34,38)
InChIKeySZQGSEKOXWECKF-UHFFFAOYSA-N
XLogP5.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide (CID 157010706) is 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide is CCC(=O)N(Cc1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is SZQGSEKOXWECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O2/c1-2-30(37)36(25-28-12-7-4-8-13-28)32(31(38)34-20-16-27-14-9-15-29(33)24-27)18-22-35(23-19-32)21-17-26-10-5-3-6-11-26/h3-15,24H,2,16-23,25H2,1H3,(H,34,38).
What are the key properties of 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 515.67 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propanoyl)amino]-N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 157010706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).