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

C19H25Cl2N3O — CID 120556705

IUPAC1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2C)c(C)n1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H24ClN3O.ClH/c1-12-11-21-8-7-18(12)22-19(24)17-9-13(2)23(14(17)3)16-6-4-5-15(20)10-16;/h4-6,9-10,12,18,21H,7-8,11H2,1-3H3,(H,22,24);1H
InChIKeyMEEVKVJAVZSSIW-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.90
Rot. Bonds3

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

1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 120556705) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
PubChem CID120556705
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2C)c(C)n1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H24ClN3O.ClH/c1-12-11-21-8-7-18(12)22-19(24)17-9-13(2)23(14(17)3)16-6-4-5-15(20)10-16;/h4-6,9-10,12,18,21H,7-8,11H2,1-3H3,(H,22,24);1H
InChIKeyMEEVKVJAVZSSIW-UHFFFAOYSA-N
XLogP3.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453392
1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120557423
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120947653
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119389561
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554098
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride (CID 120556705) is 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCNCC2C)c(C)n1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is MEEVKVJAVZSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O.ClH/c1-12-11-21-8-7-18(12)22-19(24)17-9-13(2)23(14(17)3)16-6-4-5-15(20)10-16;/h4-6,9-10,12,18,21H,7-8,11H2,1-3H3,(H,22,24);1H.
What are the key properties of 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride?
1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120556705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).