1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide

C19H28N4O2 — CID 75462150

IUPAC1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(20-19(25)16-12-18(24)22(3)13-16)15-4-6-17(7-5-15)23-10-8-21(2)9-11-23/h4-7,14,16H,8-13H2,1-3H3,(H,20,25)
InChIKeyZEMIPNFVDDVOSI-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.09
Rot. Bonds4

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

1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75462150) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75462150
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(20-19(25)16-12-18(24)22(3)13-16)15-4-6-17(7-5-15)23-10-8-21(2)9-11-23/h4-7,14,16H,8-13H2,1-3H3,(H,20,25)
InChIKeyZEMIPNFVDDVOSI-UHFFFAOYSA-N
XLogP1.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
1-(3-methylbutyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113185639
1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182232
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
1-ethyl-5-oxo-N-[1-[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 163722787
(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
CID 95337098
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide
CID 167899177

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 75462150) is 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZEMIPNFVDDVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(20-19(25)16-12-18(24)22(3)13-16)15-4-6-17(7-5-15)23-10-8-21(2)9-11-23/h4-7,14,16H,8-13H2,1-3H3,(H,20,25).
What are the key properties of 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75462150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).