4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide

C14H20N2OS — CID 114422593

IUPAC4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
SMILESCSc1ccc(NC(=O)C2CC(C)CCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-15-13(9-10)14(17)16-11-3-5-12(18-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyBASKKIYIAJYRLD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide

4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide (PubChem CID 114422593) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
PubChem CID114422593
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
SMILESCSc1ccc(NC(=O)C2CC(C)CCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-15-13(9-10)14(17)16-11-3-5-12(18-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyBASKKIYIAJYRLD-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 114423290
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide (CID 114422593) is 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide is CSc1ccc(NC(=O)C2CC(C)CCN2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide?
The InChIKey is BASKKIYIAJYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-7-8-15-13(9-10)14(17)16-11-3-5-12(18-2)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide?
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 114422593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).