1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C21H24N2O2S — CID 110628433

IUPAC1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C21H24N2O2S/c24-20-9-8-19(23(20)17-5-2-1-3-6-17)21(25)22-12-10-16(11-13-22)15-18-7-4-14-26-18/h1-7,14,16,19H,8-13,15H2
InChIKeyWSTUVHOREGJIMU-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.72
Rot. Bonds4

About 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110628433) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110628433
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C21H24N2O2S/c24-20-9-8-19(23(20)17-5-2-1-3-6-17)21(25)22-12-10-16(11-13-22)15-18-7-4-14-26-18/h1-7,14,16,19H,8-13,15H2
InChIKeyWSTUVHOREGJIMU-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 1477413
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
(3aR,7aR)-4-phenyl-1-(2-thiophen-2-ylacetyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124802171
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 110628433) is 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CCC(=O)N1c1ccccc1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WSTUVHOREGJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20-9-8-19(23(20)17-5-2-1-3-6-17)21(25)22-12-10-16(11-13-22)15-18-7-4-14-26-18/h1-7,14,16,19H,8-13,15H2.
What are the key properties of 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 368.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110628433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).