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

C24H34N4O3 — CID 44962620

IUPACN-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)CC2CCCC2)CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H34N4O3/c29-22(16-19-6-4-5-7-19)27-14-12-26(13-15-27)11-10-25-24(31)20-17-23(30)28(18-20)21-8-2-1-3-9-21/h1-3,8-9,19-20H,4-7,10-18H2,(H,25,31)
InChIKeyCHGHCHWMRSHAOI-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.88
Rot. Bonds7

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

N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 44962620) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID44962620
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)CC2CCCC2)CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H34N4O3/c29-22(16-19-6-4-5-7-19)27-14-12-26(13-15-27)11-10-25-24(31)20-17-23(30)28(18-20)21-8-2-1-3-9-21/h1-3,8-9,19-20H,4-7,10-18H2,(H,25,31)
InChIKeyCHGHCHWMRSHAOI-UHFFFAOYSA-N
XLogP1.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602
N-[2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962770
(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39037161
N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962660
[2-[4-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 44962872
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 44962620) is N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCN1CCN(C(=O)CC2CCCC2)CC1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is CHGHCHWMRSHAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-22(16-19-6-4-5-7-19)27-14-12-26(13-15-27)11-10-25-24(31)20-17-23(30)28(18-20)21-8-2-1-3-9-21/h1-3,8-9,19-20H,4-7,10-18H2,(H,25,31).
What are the key properties of N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 44962620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).