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

C25H38N4O2 — CID 86896330

IUPAC1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)C3CC(=O)N(C4CCCCCC4)C3)cc2)CC1
InChIInChI=1S/C25H38N4O2/c1-27-14-16-28(17-15-27)13-12-20-8-10-22(11-9-20)26-25(31)21-18-24(30)29(19-21)23-6-4-2-3-5-7-23/h8-11,21,23H,2-7,12-19H2,1H3,(H,26,31)
InChIKeyRSDOJBKDRWSJLA-UHFFFAOYSA-N
MW426.61 g/mol
LogP2.99
Rot. Bonds6

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

1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 86896330) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID86896330
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)C3CC(=O)N(C4CCCCCC4)C3)cc2)CC1
InChIInChI=1S/C25H38N4O2/c1-27-14-16-28(17-15-27)13-12-20-8-10-22(11-9-20)26-25(31)21-18-24(30)29(19-21)23-6-4-2-3-5-7-23/h8-11,21,23H,2-7,12-19H2,1H3,(H,26,31)
InChIKeyRSDOJBKDRWSJLA-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
1-cyclohexyl-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 136554056
propyl 4-[[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40830394

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 86896330) is 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide is CN1CCN(CCc2ccc(NC(=O)C3CC(=O)N(C4CCCCCC4)C3)cc2)CC1.
What is the InChIKey of 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RSDOJBKDRWSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-27-14-16-28(17-15-27)13-12-20-8-10-22(11-9-20)26-25(31)21-18-24(30)29(19-21)23-6-4-2-3-5-7-23/h8-11,21,23H,2-7,12-19H2,1H3,(H,26,31).
What are the key properties of 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86896330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).