4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride

C20H31ClN2O2S — CID 119820136

IUPAC4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O2S.ClH/c1-16-5-7-17(8-6-16)25-19(9-3-4-10-19)15-22-18(23)20(24-2)11-13-21-14-12-20;/h5-8,21H,3-4,9-15H2,1-2H3,(H,22,23);1H
InChIKeyYHMKWUCWFIJAAG-UHFFFAOYSA-N
MW399.00 g/mol
LogP3.71
Rot. Bonds6

About 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119820136) has the molecular formula C20H31ClN2O2S and a molecular weight of 399.00 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119820136
Molecular FormulaC20H31ClN2O2S
Molecular Weight399.00 g/mol
Exact Mass398.18
IUPAC Name4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O2S.ClH/c1-16-5-7-17(8-6-16)25-19(9-3-4-10-19)15-22-18(23)20(24-2)11-13-21-14-12-20;/h5-8,21H,3-4,9-15H2,1-2H3,(H,22,23);1H
InChIKeyYHMKWUCWFIJAAG-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.00
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
4-methoxy-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119812130
3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119820136) is 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YHMKWUCWFIJAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S.ClH/c1-16-5-7-17(8-6-16)25-19(9-3-4-10-19)15-22-18(23)20(24-2)11-13-21-14-12-20;/h5-8,21H,3-4,9-15H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 399.00 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).