N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide

C22H28N2OS — CID 131948127

IUPACN,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCSc1cccc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)c1
InChIInChI=1S/C22H28N2OS/c1-23-14-12-22(13-15-23,19-9-5-4-6-10-19)21(25)24(2)17-18-8-7-11-20(16-18)26-3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyAIJOQISREAFSRF-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.03
Rot. Bonds5

About N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide

N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 131948127) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID131948127
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCSc1cccc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)c1
InChIInChI=1S/C22H28N2OS/c1-23-14-12-22(13-15-23,19-9-5-4-6-10-19)21(25)24(2)17-18-8-7-11-20(16-18)26-3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyAIJOQISREAFSRF-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758406
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758405
N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
CID 74232354
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816373
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 134041085
(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
CID 77098306
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide (CID 131948127) is N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide is CSc1cccc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)c1.
What is the InChIKey of N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is AIJOQISREAFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-23-14-12-22(13-15-23,19-9-5-4-6-10-19)21(25)24(2)17-18-8-7-11-20(16-18)26-3/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 131948127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).