2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

C24H30N4O2 — CID 143048908

IUPAC2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-9-11-21(12-10-19)25-24(30)28-13-5-8-22(28)23(29)27-16-14-26(15-17-27)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30)
InChIKeyYBKLIOPBSZSTLR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 143048908) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID143048908
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-19-9-11-21(12-10-19)25-24(30)28-13-5-8-22(28)23(29)27-16-14-26(15-17-27)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30)
InChIKeyYBKLIOPBSZSTLR-UHFFFAOYSA-N
XLogP3.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110398752
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(4-benzylpiperazin-1-yl)-[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidin-2-yl]methanone
CID 134795876
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 143048908) is 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YBKLIOPBSZSTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-9-11-21(12-10-19)25-24(30)28-13-5-8-22(28)23(29)27-16-14-26(15-17-27)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,30).
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 143048908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).