1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C26H31FN4O3 — CID 17153454

IUPAC1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1=O
InChIInChI=1S/C26H31FN4O3/c1-2-3-12-31-18-20(17-24(31)32)25(33)28-22-8-4-19(5-9-22)26(34)30-15-13-29(14-16-30)23-10-6-21(27)7-11-23/h4-11,20H,2-3,12-18H2,1H3,(H,28,33)
InChIKeyWFDNZKCMAGFOFJ-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.38
Rot. Bonds7

About 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153454) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17153454
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1=O
InChIInChI=1S/C26H31FN4O3/c1-2-3-12-31-18-20(17-24(31)32)25(33)28-22-8-4-19(5-9-22)26(34)30-15-13-29(14-16-30)23-10-6-21(27)7-11-23/h4-11,20H,2-3,12-18H2,1H3,(H,28,33)
InChIKeyWFDNZKCMAGFOFJ-UHFFFAOYSA-N
XLogP3.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
1-butyl-N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153436
(3R)-1-[4-[[(3R)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]piperidine-3-carboxylic acid
CID 94830864
ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
CID 17153490
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153499
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
1-butyl-N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153467
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17153454) is 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFDNZKCMAGFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-2-3-12-31-18-20(17-24(31)32)25(33)28-22-8-4-19(5-9-22)26(34)30-15-13-29(14-16-30)23-10-6-21(27)7-11-23/h4-11,20H,2-3,12-18H2,1H3,(H,28,33).
What are the key properties of 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).