4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide

C31H33F3N4O2 — CID 59527765

IUPAC4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C31H33F3N4O2/c1-22(23-2-6-25(32)7-3-23)35-29(39)31(24-4-8-26(33)9-5-24)14-16-37(17-15-31)30(40)38-20-18-36(19-21-38)28-12-10-27(34)11-13-28/h2-13,22H,14-21H2,1H3,(H,35,39)/t22-/m0/s1
InChIKeyVSSQEQZUKYUUHT-QFIPXVFZSA-N
MW550.63 g/mol
LogP5.26
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide

4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 59527765) has the molecular formula C31H33F3N4O2 and a molecular weight of 550.63 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID59527765
Molecular FormulaC31H33F3N4O2
Molecular Weight550.63 g/mol
Exact Mass550.26
IUPAC Name4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C31H33F3N4O2/c1-22(23-2-6-25(32)7-3-23)35-29(39)31(24-4-8-26(33)9-5-24)14-16-37(17-15-31)30(40)38-20-18-36(19-21-38)28-12-10-27(34)11-13-28/h2-13,22H,14-21H2,1H3,(H,35,39)/t22-/m0/s1
InChIKeyVSSQEQZUKYUUHT-QFIPXVFZSA-N
XLogP5.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
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
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614088
4-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 59527832
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 11588436

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide (CID 59527765) is 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is VSSQEQZUKYUUHT-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H33F3N4O2/c1-22(23-2-6-25(32)7-3-23)35-29(39)31(24-4-8-26(33)9-5-24)14-16-37(17-15-31)30(40)38-20-18-36(19-21-38)28-12-10-27(34)11-13-28/h2-13,22H,14-21H2,1H3,(H,35,39)/t22-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 550.63 g/mol, XLogP of 5.26, 5 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-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).