1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

C18H24Cl3N3O2 — CID 119559499

IUPAC1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2.ClH/c19-14-7-15(20)9-16(8-14)23-11-13(6-17(23)24)18(25)22-5-3-12-2-1-4-21-10-12;/h7-9,12-13,21H,1-6,10-11H2,(H,22,25);1H
InChIKeyONFXEHOONRNWPJ-UHFFFAOYSA-N
MW420.77 g/mol
LogP3.27
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119559499) has the molecular formula C18H24Cl3N3O2 and a molecular weight of 420.77 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119559499
Molecular FormulaC18H24Cl3N3O2
Molecular Weight420.77 g/mol
Exact Mass419.09
IUPAC Name1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2.ClH/c19-14-7-15(20)9-16(8-14)23-11-13(6-17(23)24)18(25)22-5-3-12-2-1-4-21-10-12;/h7-9,12-13,21H,1-6,10-11H2,(H,22,25);1H
InChIKeyONFXEHOONRNWPJ-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119556384
1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119555623
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
1-(2-methoxyethyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119555111
N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119409022
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119554911
1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119536152
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119461163
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119533531
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119559499) is 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ONFXEHOONRNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2.ClH/c19-14-7-15(20)9-16(8-14)23-11-13(6-17(23)24)18(25)22-5-3-12-2-1-4-21-10-12;/h7-9,12-13,21H,1-6,10-11H2,(H,22,25);1H.
What are the key properties of 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 420.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119559499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).