1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride

C20H34ClN3O — CID 119556387

IUPAC1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C20H33N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h13,17-18,21H,3-12,14H2,1-2H3,(H,22,24);1H
InChIKeyKVVWXJGSZIPXQP-UHFFFAOYSA-N
MW367.97 g/mol
LogP4.15
Rot. Bonds5

About 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride

1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 119556387) has the molecular formula C20H34ClN3O and a molecular weight of 367.97 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
PubChem CID119556387
Molecular FormulaC20H34ClN3O
Molecular Weight367.97 g/mol
Exact Mass367.24
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C20H33N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h13,17-18,21H,3-12,14H2,1-2H3,(H,22,24);1H
InChIKeyKVVWXJGSZIPXQP-UHFFFAOYSA-N
XLogP4.15
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
1-cyclohexyl-N-[2-(furan-2-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55483175
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120603680
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119536671
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride (CID 119556387) is 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCCC2CCCNC2)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is KVVWXJGSZIPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h13,17-18,21H,3-12,14H2,1-2H3,(H,22,24);1H.
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 367.97 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119556387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).