N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide

C21H26N2OS — CID 97188682

IUPACN-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESCSc1cccc(CN(C)C(=O)c2cccc([C@H]3CCCNC3)c2)c1
InChIInChI=1S/C21H26N2OS/c1-23(15-16-6-3-10-20(12-16)25-2)21(24)18-8-4-7-17(13-18)19-9-5-11-22-14-19/h3-4,6-8,10,12-13,19,22H,5,9,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyURTVSVAXMODDJR-IBGZPJMESA-N
MW354.52 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide

N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97188682) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
PubChem CID97188682
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESCSc1cccc(CN(C)C(=O)c2cccc([C@H]3CCCNC3)c2)c1
InChIInChI=1S/C21H26N2OS/c1-23(15-16-6-3-10-20(12-16)25-2)21(24)18-8-4-7-17(13-18)19-9-5-11-22-14-19/h3-4,6-8,10,12-13,19,22H,5,9,11,14-15H2,1-2H3/t19-/m0/s1
InChIKeyURTVSVAXMODDJR-IBGZPJMESA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
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N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-(oxan-2-ylmethyl)urea
CID 119064472
N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
CID 97200422
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448
N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99947871
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide (CID 97188682) is N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide is CSc1cccc(CN(C)C(=O)c2cccc([C@H]3CCCNC3)c2)c1.
What is the InChIKey of N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is URTVSVAXMODDJR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2OS/c1-23(15-16-6-3-10-20(12-16)25-2)21(24)18-8-4-7-17(13-18)19-9-5-11-22-14-19/h3-4,6-8,10,12-13,19,22H,5,9,11,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide?
N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 354.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97188682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).