1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C18H32ClN3O2 — CID 120577525

IUPAC1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N2CC(C(=O)NC3CCCNC3C)CC2=O)CC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-12-5-7-15(8-6-12)21-11-14(10-17(21)22)18(23)20-16-4-3-9-19-13(16)2;/h12-16,19H,3-11H2,1-2H3,(H,20,23);1H
InChIKeyXSBHFMKBWRVTBS-UHFFFAOYSA-N
MW357.93 g/mol
LogP2.09
Rot. Bonds3

About 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120577525) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120577525
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC Name1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N2CC(C(=O)NC3CCCNC3C)CC2=O)CC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-12-5-7-15(8-6-12)21-11-14(10-17(21)22)18(23)20-16-4-3-9-19-13(16)2;/h12-16,19H,3-11H2,1-2H3,(H,20,23);1H
InChIKeyXSBHFMKBWRVTBS-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119600923
N-(2-methylpiperidin-3-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120577714
N-(2-methylpiperidin-3-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577163
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539
1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120573725
1-[(4-methylphenyl)methyl]-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120574389
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120577525) is 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CC1CCC(N2CC(C(=O)NC3CCCNC3C)CC2=O)CC1.Cl.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XSBHFMKBWRVTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c1-12-5-7-15(8-6-12)21-11-14(10-17(21)22)18(23)20-16-4-3-9-19-13(16)2;/h12-16,19H,3-11H2,1-2H3,(H,20,23);1H.
What are the key properties of 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120577525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).