1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride

C15H26ClN3O — CID 120557423

IUPAC1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCCn1c(C)cc(C(=O)NC2CCNCC2C)c1C.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-5-18-11(3)8-13(12(18)4)15(19)17-14-6-7-16-9-10(14)2;/h8,10,14,16H,5-7,9H2,1-4H3,(H,17,19);1H
InChIKeyLTUQJAZOAVXYQS-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.27
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride

1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 120557423) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
PubChem CID120557423
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCCn1c(C)cc(C(=O)NC2CCNCC2C)c1C.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-5-18-11(3)8-13(12(18)4)15(19)17-14-6-7-16-9-10(14)2;/h8,10,14,16H,5-7,9H2,1-4H3,(H,17,19);1H
InChIKeyLTUQJAZOAVXYQS-UHFFFAOYSA-N
XLogP2.27
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120556705
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
5-(ethylsulfamoyl)-2-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554570
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride (CID 120557423) is 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride is CCn1c(C)cc(C(=O)NC2CCNCC2C)c1C.Cl.
What is the InChIKey of 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is LTUQJAZOAVXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-5-18-11(3)8-13(12(18)4)15(19)17-14-6-7-16-9-10(14)2;/h8,10,14,16H,5-7,9H2,1-4H3,(H,17,19);1H.
What are the key properties of 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).