[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

C15H22N2OS — CID 115304551

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCNC1(C)CCN(C(=O)c2ccccc2SC)CC1
InChIInChI=1S/C15H22N2OS/c1-15(16-2)8-10-17(11-9-15)14(18)12-6-4-5-7-13(12)19-3/h4-7,16H,8-11H2,1-3H3
InChIKeyCFUHSBDJHIDOON-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.62
Rot. Bonds3

About [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 115304551) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID115304551
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCNC1(C)CCN(C(=O)c2ccccc2SC)CC1
InChIInChI=1S/C15H22N2OS/c1-15(16-2)8-10-17(11-9-15)14(18)12-6-4-5-7-13(12)19-3/h4-7,16H,8-11H2,1-3H3
InChIKeyCFUHSBDJHIDOON-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylbenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433466
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
4-ethyl-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125322
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
[4-methyl-4-(methylamino)piperidin-1-yl]-(3-methyl-2-nitrophenyl)methanone
CID 115304475
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 115304551) is [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is CNC1(C)CCN(C(=O)c2ccccc2SC)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is CFUHSBDJHIDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(16-2)8-10-17(11-9-15)14(18)12-6-4-5-7-13(12)19-3/h4-7,16H,8-11H2,1-3H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 115304551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).