1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H30N4O2 — CID 113182232

IUPAC1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H30N4O2/c1-4-15(2)24-14-16(13-19(24)25)20(26)21-17-5-7-18(8-6-17)23-11-9-22(3)10-12-23/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyQXUFNZVHNQRSHT-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.02
Rot. Bonds5

About 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182232) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113182232
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H30N4O2/c1-4-15(2)24-14-16(13-19(24)25)20(26)21-17-5-7-18(8-6-17)23-11-9-22(3)10-12-23/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyQXUFNZVHNQRSHT-UHFFFAOYSA-N
XLogP2.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113185639
1-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182244
N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069
(3R)-1-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25344191
1-butan-2-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 113182243
1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182268
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
1-butan-2-yl-N-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182191
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
(3S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41184848
1-(3-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55582549
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 113182232) is 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QXUFNZVHNQRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-15(2)24-14-16(13-19(24)25)20(26)21-17-5-7-18(8-6-17)23-11-9-22(3)10-12-23/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,26).
What are the key properties of 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).