1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide

C21H25N3O2S — CID 119450128

IUPAC1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)NC3CCNC3)C2c2cccs2)cc1
InChIInChI=1S/C21H25N3O2S/c1-14-4-6-16(7-5-14)24-19(25)9-8-17(20(24)18-3-2-12-27-18)21(26)23-15-10-11-22-13-15/h2-7,12,15,17,20,22H,8-11,13H2,1H3,(H,23,26)
InChIKeyFKWSZNCDJKGBIB-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide

1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 119450128) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID119450128
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)NC3CCNC3)C2c2cccs2)cc1
InChIInChI=1S/C21H25N3O2S/c1-14-4-6-16(7-5-14)24-19(25)9-8-17(20(24)18-3-2-12-27-18)21(26)23-15-10-11-22-13-15/h2-7,12,15,17,20,22H,8-11,13H2,1H3,(H,23,26)
InChIKeyFKWSZNCDJKGBIB-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide (CID 119450128) is 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CCC(C(=O)NC3CCNC3)C2c2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is FKWSZNCDJKGBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-4-6-16(7-5-14)24-19(25)9-8-17(20(24)18-3-2-12-27-18)21(26)23-15-10-11-22-13-15/h2-7,12,15,17,20,22H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119450128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).