[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid

C24H27N5O3 — CID 141221700

IUPAC[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CC(NC(=O)O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N5O3/c25-15-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(30)22-14-20(26-24(31)32)17-29(22)16-18-6-2-1-3-7-18/h1-9,20,22,26H,10-14,16-17H2,(H,31,32)
InChIKeyXNFFTEPSKLDDIL-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.12
Rot. Bonds5

About [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid

[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 141221700) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid
PubChem CID141221700
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CC(NC(=O)O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C24H27N5O3/c25-15-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(30)22-14-20(26-24(31)32)17-29(22)16-18-6-2-1-3-7-18/h1-9,20,22,26H,10-14,16-17H2,(H,31,32)
InChIKeyXNFFTEPSKLDDIL-UHFFFAOYSA-N
XLogP2.12
TPSA99.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid 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

2-[4-[(2S,4S)-1-benzyl-4-(methylamino)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile;ethane
CID 91215196
N-[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]-2-methoxybenzamide
CID 68721749
N-[(3S,5S)-1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 25121361
2-[4-[(2S,4S)-1-benzyl-4-[(2-chlorophenyl)methylamino]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
CID 67547258
N-[(3S,5S)-1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]-3,4,5-trimethoxybenzamide
CID 67548140
2-[4-[(2S,4S)-1-benzyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
CID 25119967
2-[4-[(2S,4S)-1-benzyl-4-[benzyl(methyl)amino]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile;ethane
CID 91307086
[1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 68722071
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
[(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 67547787
2-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95142592

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid (CID 141221700) is [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid is N#Cc1ccccc1N1CCN(C(=O)C2CC(NC(=O)O)CN2Cc2ccccc2)CC1.
What is the InChIKey of [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is XNFFTEPSKLDDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-15-19-8-4-5-9-21(19)27-10-12-28(13-11-27)23(30)22-14-20(26-24(31)32)17-29(22)16-18-6-2-1-3-7-18/h1-9,20,22,26H,10-14,16-17H2,(H,31,32).
What are the key properties of [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid?
[1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 433.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-[4-(2-cyanophenyl)piperazine-1-carbonyl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 141221700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).