N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H34N4O2 — CID 86984966

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(C(C)C)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C22H34N4O2/c1-16(2)20(25-11-9-24(4)10-12-25)14-23-22(28)18-13-21(27)26(15-18)19-7-5-17(3)6-8-19/h5-8,16,18,20H,9-15H2,1-4H3,(H,23,28)
InChIKeyPNPBXMIBBBEZJZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.74
Rot. Bonds6

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 86984966) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID86984966
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(C(C)C)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C22H34N4O2/c1-16(2)20(25-11-9-24(4)10-12-25)14-23-22(28)18-13-21(27)26(15-18)19-7-5-17(3)6-8-19/h5-8,16,18,20H,9-15H2,1-4H3,(H,23,28)
InChIKeyPNPBXMIBBBEZJZ-UHFFFAOYSA-N
XLogP1.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97070411
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17401751
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237
N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086803

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 86984966) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC(C(C)C)N3CCN(C)CC3)CC2=O)cc1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PNPBXMIBBBEZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)20(25-11-9-24(4)10-12-25)14-23-22(28)18-13-21(27)26(15-18)19-7-5-17(3)6-8-19/h5-8,16,18,20H,9-15H2,1-4H3,(H,23,28).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).