1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

C20H31ClN2O2 — CID 120598801

IUPAC1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(C2(C(=O)NC3CCNC(C)C3)CCCC2)ccc1C.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14-6-7-16(13-18(14)24-3)20(9-4-5-10-20)19(23)22-17-8-11-21-15(2)12-17;/h6-7,13,15,17,21H,4-5,8-12H2,1-3H3,(H,22,23);1H
InChIKeyFYZKPWMYWAVIEM-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120598801) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID120598801
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(C2(C(=O)NC3CCNC(C)C3)CCCC2)ccc1C.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14-6-7-16(13-18(14)24-3)20(9-4-5-10-20)19(23)22-17-8-11-21-15(2)12-17;/h6-7,13,15,17,21H,4-5,8-12H2,1-3H3,(H,22,23);1H
InChIKeyFYZKPWMYWAVIEM-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 120601282
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (CID 120598801) is 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is COc1cc(C2(C(=O)NC3CCNC(C)C3)CCCC2)ccc1C.Cl.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FYZKPWMYWAVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-14-6-7-16(13-18(14)24-3)20(9-4-5-10-20)19(23)22-17-8-11-21-15(2)12-17;/h6-7,13,15,17,21H,4-5,8-12H2,1-3H3,(H,22,23);1H.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120598801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).