(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H30N4O3 — CID 39037161

IUPAC(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H30N4O3/c30-23(28-15-13-27(14-16-28)18-20-7-3-1-4-8-20)11-12-26-25(32)21-17-24(31)29(19-21)22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,26,32)/t21-/m0/s1
InChIKeyNLFRCMFAOAMPBL-NRFANRHFSA-N
MW434.54 g/mol
LogP1.89
Rot. Bonds7

About (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39037161) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39037161
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H30N4O3/c30-23(28-15-13-27(14-16-28)18-20-7-3-1-4-8-20)11-12-26-25(32)21-17-24(31)29(19-21)22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,26,32)/t21-/m0/s1
InChIKeyNLFRCMFAOAMPBL-NRFANRHFSA-N
XLogP1.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962620
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 60613303
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-[2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962770

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39037161) is (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NLFRCMFAOAMPBL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-23(28-15-13-27(14-16-28)18-20-7-3-1-4-8-20)11-12-26-25(32)21-17-24(31)29(19-21)22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,26,32)/t21-/m0/s1.
What are the key properties of (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).