N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C26H32N4O4 — CID 44962660

IUPACN-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCN(CCNC(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C26H32N4O4/c1-2-34-23-10-8-20(9-11-23)26(33)29-16-14-28(15-17-29)13-12-27-25(32)21-18-24(31)30(19-21)22-6-4-3-5-7-22/h3-11,21H,2,12-19H2,1H3,(H,27,32)
InChIKeyUNGYDGXHDDFNMY-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.01
Rot. Bonds8

About N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 44962660) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID44962660
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCN(CCNC(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C26H32N4O4/c1-2-34-23-10-8-20(9-11-23)26(33)29-16-14-28(15-17-29)13-12-27-25(32)21-18-24(31)30(19-21)22-6-4-3-5-7-22/h3-11,21H,2,12-19H2,1H3,(H,27,32)
InChIKeyUNGYDGXHDDFNMY-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962770
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
[2-[4-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 44962872
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962620
1-(4-ethoxyphenyl)-N-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18189998
1-(4-ethoxyphenyl)-5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 46481073
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6378301
N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 44962660) is N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCOc1ccc(C(=O)N2CCN(CCNC(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is UNGYDGXHDDFNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-2-34-23-10-8-20(9-11-23)26(33)29-16-14-28(15-17-29)13-12-27-25(32)21-18-24(31)30(19-21)22-6-4-3-5-7-22/h3-11,21H,2,12-19H2,1H3,(H,27,32).
What are the key properties of N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 44962660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).