4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide

C32H33F2N3O3 — CID 59527832

IUPAC4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C32H33F2N3O3/c1-22(24-5-4-6-27(34)21-24)35-31(40)32(25-10-12-26(33)13-11-25)16-19-36(20-17-32)30(39)23-8-14-28(15-9-23)37-18-3-2-7-29(37)38/h4-6,8-15,21-22H,2-3,7,16-20H2,1H3,(H,35,40)/t22-/m0/s1
InChIKeyFZQFGXXZHYMRAH-QFIPXVFZSA-N
MW545.63 g/mol
LogP5.53
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide

4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 59527832) has the molecular formula C32H33F2N3O3 and a molecular weight of 545.63 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
PubChem CID59527832
Molecular FormulaC32H33F2N3O3
Molecular Weight545.63 g/mol
Exact Mass545.25
IUPAC Name4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C32H33F2N3O3/c1-22(24-5-4-6-27(34)21-24)35-31(40)32(25-10-12-26(33)13-11-25)16-19-36(20-17-32)30(39)23-8-14-28(15-9-23)37-18-3-2-7-29(37)38/h4-6,8-15,21-22H,2-3,7,16-20H2,1H3,(H,35,40)/t22-/m0/s1
InChIKeyFZQFGXXZHYMRAH-QFIPXVFZSA-N
XLogP5.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide 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

1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527695
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide (CID 59527832) is 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is FZQFGXXZHYMRAH-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H33F2N3O3/c1-22(24-5-4-6-27(34)21-24)35-31(40)32(25-10-12-26(33)13-11-25)16-19-36(20-17-32)30(39)23-8-14-28(15-9-23)37-18-3-2-7-29(37)38/h4-6,8-15,21-22H,2-3,7,16-20H2,1H3,(H,35,40)/t22-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).