N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

C16H24N2OS — CID 114423290

IUPACN,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2CC(C)CCN2)cc1
InChIInChI=1S/C16H24N2OS/c1-12-8-9-17-15(10-12)16(19)18(2)11-13-4-6-14(20-3)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyMHASOZSEIYNRSU-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.76
Rot. Bonds4

About N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 114423290) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
PubChem CID114423290
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2CC(C)CCN2)cc1
InChIInChI=1S/C16H24N2OS/c1-12-8-9-17-15(10-12)16(19)18(2)11-13-4-6-14(20-3)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyMHASOZSEIYNRSU-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
N,4-dimethyl-N-(2-methylsulfanylethyl)piperidine-2-carboxamide
CID 114424449
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N,4-dimethyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 114422878
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
4-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 114428373
N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 114424110
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (CID 114423290) is N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is CSc1ccc(CN(C)C(=O)C2CC(C)CCN2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is MHASOZSEIYNRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-8-9-17-15(10-12)16(19)18(2)11-13-4-6-14(20-3)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114423290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).