1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide

C15H20N2O2S — CID 29205833

IUPAC1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide
SMILESCSCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H20N2O2S/c1-20-10-11-3-2-4-13(9-11)15(19)17-7-5-12(6-8-17)14(16)18/h2-4,9,12H,5-8,10H2,1H3,(H2,16,18)
InChIKeyCSFOASKYCVQMMD-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.89
Rot. Bonds4

About 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide

1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 29205833) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide
PubChem CID29205833
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide
SMILESCSCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H20N2O2S/c1-20-10-11-3-2-4-13(9-11)15(19)17-7-5-12(6-8-17)14(16)18/h2-4,9,12H,5-8,10H2,1H3,(H2,16,18)
InChIKeyCSFOASKYCVQMMD-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide (CID 29205833) is 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide is CSCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is CSFOASKYCVQMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-10-11-3-2-4-13(9-11)15(19)17-7-5-12(6-8-17)14(16)18/h2-4,9,12H,5-8,10H2,1H3,(H2,16,18).
What are the key properties of 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide?
1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 29205833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).