1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2S — CID 72869184

IUPAC1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O2S/c1-3-20-13-15(12-18(20)22)19(23)21-10-8-17(9-11-21)24-16-6-4-14(2)5-7-16/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyVDKWGGQZEBZFQV-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.95
Rot. Bonds4

About 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one

1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 72869184) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID72869184
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O2S/c1-3-20-13-15(12-18(20)22)19(23)21-10-8-17(9-11-21)24-16-6-4-14(2)5-7-16/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyVDKWGGQZEBZFQV-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 72869184) is 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one is CCN1CC(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)CC1=O.
What is the InChIKey of 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VDKWGGQZEBZFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-3-20-13-15(12-18(20)22)19(23)21-10-8-17(9-11-21)24-16-6-4-14(2)5-7-16/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one?
1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 346.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 72869184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).