N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide

C23H30N2OS — CID 97200422

IUPACN-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C23H30N2OS/c1-3-15-25(17-18-6-12-22(27-2)13-7-18)23(26)20-10-8-19(9-11-20)21-5-4-14-24-16-21/h6-13,21,24H,3-5,14-17H2,1-2H3/t21-/m0/s1
InChIKeyJCBVDDRWEZPLQL-NRFANRHFSA-N
MW382.57 g/mol
LogP4.93
Rot. Bonds7

About N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide

N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide (PubChem CID 97200422) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
PubChem CID97200422
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C23H30N2OS/c1-3-15-25(17-18-6-12-22(27-2)13-7-18)23(26)20-10-8-19(9-11-20)21-5-4-14-24-16-21/h6-13,21,24H,3-5,14-17H2,1-2H3/t21-/m0/s1
InChIKeyJCBVDDRWEZPLQL-NRFANRHFSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 97200779
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97188682
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide (CID 97200422) is N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide is CCCN(Cc1ccc(SC)cc1)C(=O)c1ccc([C@H]2CCCNC2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide?
The InChIKey is JCBVDDRWEZPLQL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-3-15-25(17-18-6-12-22(27-2)13-7-18)23(26)20-10-8-19(9-11-20)21-5-4-14-24-16-21/h6-13,21,24H,3-5,14-17H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide?
N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide has a molecular weight of 382.57 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-4-[(3R)-piperidin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 97200422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).