(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

C19H26N4O3 — CID 52522512

IUPAC(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-2-21-14-15(12-17(21)24)19(26)20-13-18(25)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyBGPXJWPYRSXNMT-OAHLLOKOSA-N
MW358.44 g/mol
LogP0.32
Rot. Bonds5

About (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 52522512) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID52522512
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-2-21-14-15(12-17(21)24)19(26)20-13-18(25)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyBGPXJWPYRSXNMT-OAHLLOKOSA-N
XLogP0.32
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 51940146
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 52522512) is (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BGPXJWPYRSXNMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-21-14-15(12-17(21)24)19(26)20-13-18(25)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,20,26)/t15-/m1/s1.
What are the key properties of (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 52522512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).