N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide

C15H22N2OS — CID 110482448

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
SMILESCSc1ccc(CCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyVSAKYVWYDZIIQF-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide

N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 110482448) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID110482448
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
SMILESCSc1ccc(CCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyVSAKYVWYDZIIQF-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 81140879
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119317591
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide (CID 110482448) is N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide is CSc1ccc(CCNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is VSAKYVWYDZIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 110482448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).