(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H26N4O3 — CID 9254687

IUPAC(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)CC1=O
InChIInChI=1S/C22H26N4O3/c1-2-29-20-6-4-3-5-19(20)26-16-17(15-21(26)27)22(28)25-13-11-24(12-14-25)18-7-9-23-10-8-18/h3-10,17H,2,11-16H2,1H3/t17-/m1/s1
InChIKeyHWTJDHRSUUYFPV-QGZVFWFLSA-N
MW394.48 g/mol
LogP2.18
Rot. Bonds5

About (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 9254687) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID9254687
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)CC1=O
InChIInChI=1S/C22H26N4O3/c1-2-29-20-6-4-3-5-19(20)26-16-17(15-21(26)27)22(28)25-13-11-24(12-14-25)18-7-9-23-10-8-18/h3-10,17H,2,11-16H2,1H3/t17-/m1/s1
InChIKeyHWTJDHRSUUYFPV-QGZVFWFLSA-N
XLogP2.18
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
6-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137349
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
2-[4-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603098
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
(2R)-1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371077

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 9254687) is (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccncc3)CC2)CC1=O.
What is the InChIKey of (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HWTJDHRSUUYFPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-29-20-6-4-3-5-19(20)26-16-17(15-21(26)27)22(28)25-13-11-24(12-14-25)18-7-9-23-10-8-18/h3-10,17H,2,11-16H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 9254687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).