1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide

C15H20N2O2S — CID 886822

IUPAC1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-11-2-4-13(5-3-11)20-10-14(18)17-8-6-12(7-9-17)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)
InChIKeyPGJIFCIKSQQADX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide

1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 886822) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID886822
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-11-2-4-13(5-3-11)20-10-14(18)17-8-6-12(7-9-17)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)
InChIKeyPGJIFCIKSQQADX-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide (CID 886822) is 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide is Cc1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is PGJIFCIKSQQADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-2-4-13(5-3-11)20-10-14(18)17-8-6-12(7-9-17)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19).
What are the key properties of 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 886822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).