N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide

C15H22N2O2S — CID 119787035

IUPACN-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCCSc1cccc(NC(=O)C2(OC)CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-3-20-13-6-4-5-12(11-13)17-14(18)15(19-2)7-9-16-10-8-15/h4-6,11,16H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyRJRZKWZCEHRCOO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.51
Rot. Bonds5

About N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide

N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119787035) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119787035
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCCSc1cccc(NC(=O)C2(OC)CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-3-20-13-6-4-5-12(11-13)17-14(18)15(19-2)7-9-16-10-8-15/h4-6,11,16H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyRJRZKWZCEHRCOO-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119813165
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119801073
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide (CID 119787035) is N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide is CCSc1cccc(NC(=O)C2(OC)CCNCC2)c1.
What is the InChIKey of N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is RJRZKWZCEHRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-20-13-6-4-5-12(11-13)17-14(18)15(19-2)7-9-16-10-8-15/h4-6,11,16H,3,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide?
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119787035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).