N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide

C19H21ClN2O2S — CID 119813165

IUPACN-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CCNCC1
InChIInChI=1S/C19H21ClN2O2S/c1-24-19(9-11-21-12-10-19)18(23)22-15-3-2-4-17(13-15)25-16-7-5-14(20)6-8-16/h2-8,13,21H,9-12H2,1H3,(H,22,23)
InChIKeyHQLNHJUUCYFWAO-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.20
Rot. Bonds5

About N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide

N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119813165) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119813165
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CCNCC1
InChIInChI=1S/C19H21ClN2O2S/c1-24-19(9-11-21-12-10-19)18(23)22-15-3-2-4-17(13-15)25-16-7-5-14(20)6-8-16/h2-8,13,21H,9-12H2,1H3,(H,22,23)
InChIKeyHQLNHJUUCYFWAO-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119700058
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide (CID 119813165) is N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CCNCC1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is HQLNHJUUCYFWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-24-19(9-11-21-12-10-19)18(23)22-15-3-2-4-17(13-15)25-16-7-5-14(20)6-8-16/h2-8,13,21H,9-12H2,1H3,(H,22,23).
What are the key properties of N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119813165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).