1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H26N4O2 — CID 120731176

IUPAC1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O
InChIInChI=1S/C22H26N4O2/c1-16(17-6-3-2-4-7-17)26-15-19(12-21(26)27)22(28)25-11-10-24-14-20(25)18-8-5-9-23-13-18/h2-9,13,16,19-20,24H,10-12,14-15H2,1H3
InChIKeyJANYGQCVWOPAJY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.16
Rot. Bonds4

About 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 120731176) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID120731176
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O
InChIInChI=1S/C22H26N4O2/c1-16(17-6-3-2-4-7-17)26-15-19(12-21(26)27)22(28)25-11-10-24-14-20(25)18-8-5-9-23-13-18/h2-9,13,16,19-20,24H,10-12,14-15H2,1H3
InChIKeyJANYGQCVWOPAJY-UHFFFAOYSA-N
XLogP2.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 120737060
1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120732530
1-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120729616
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731708
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-methyl-3-phenylsulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730946
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731808

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 120731176) is 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O.
What is the InChIKey of 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is JANYGQCVWOPAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(17-6-3-2-4-7-17)26-15-19(12-21(26)27)22(28)25-11-10-24-14-20(25)18-8-5-9-23-13-18/h2-9,13,16,19-20,24H,10-12,14-15H2,1H3.
What are the key properties of 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 120731176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).