N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

C21H32N4O2 — CID 110622654

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCCN1CCN(C(C)(C)CNC(=O)C2CCC(=O)N2c2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-4-23-12-14-24(15-13-23)21(2,3)16-22-20(27)18-10-11-19(26)25(18)17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,27)
InChIKeyQVITWCWTAPYFSQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110622654) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110622654
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCCN1CCN(C(C)(C)CNC(=O)C2CCC(=O)N2c2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-4-23-12-14-24(15-13-23)21(2,3)16-22-20(27)18-10-11-19(26)25(18)17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,27)
InChIKeyQVITWCWTAPYFSQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
CID 110353519
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110373871
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110622654) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is CCN1CCN(C(C)(C)CNC(=O)C2CCC(=O)N2c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is QVITWCWTAPYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-23-12-14-24(15-13-23)21(2,3)16-22-20(27)18-10-11-19(26)25(18)17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110622654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).