1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide

C26H32N4O4 — CID 75051240

IUPAC1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C2CCC(=O)N2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32N4O4/c1-34-23-11-6-5-10-21(23)29-18-16-28(17-19-29)15-7-14-27-25(32)22-12-13-24(31)30(22)26(33)20-8-3-2-4-9-20/h2-6,8-11,22H,7,12-19H2,1H3,(H,27,32)
InChIKeyBMDCMZGTPYLHAZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.15
Rot. Bonds8

About 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide

1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 75051240) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID75051240
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C2CCC(=O)N2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32N4O4/c1-34-23-11-6-5-10-21(23)29-18-16-28(17-19-29)15-7-14-27-25(32)22-12-13-24(31)30(22)26(33)20-8-3-2-4-9-20/h2-6,8-11,22H,7,12-19H2,1H3,(H,27,32)
InChIKeyBMDCMZGTPYLHAZ-UHFFFAOYSA-N
XLogP2.15
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(adamantane-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25266111
(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25270653
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 5307425
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (CID 75051240) is 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)C2CCC(=O)N2C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BMDCMZGTPYLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-34-23-11-6-5-10-21(23)29-18-16-28(17-19-29)15-7-14-27-25(32)22-12-13-24(31)30(22)26(33)20-8-3-2-4-9-20/h2-6,8-11,22H,7,12-19H2,1H3,(H,27,32).
What are the key properties of 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 75051240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).