1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride

C19H27Cl2N3O2 — CID 119823179

IUPAC1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CCNCC1.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-2-11-22(15-7-9-21-10-8-15)19(25)14-12-18(24)23(13-14)17-6-4-3-5-16(17)20;/h3-6,14-15,21H,2,7-13H2,1H3;1H
InChIKeyMQYXCMSVTZHLEZ-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride

1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119823179) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119823179
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CCNCC1.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-2-11-22(15-7-9-21-10-8-15)19(25)14-12-18(24)23(13-14)17-6-4-3-5-16(17)20;/h3-6,14-15,21H,2,7-13H2,1H3;1H
InChIKeyMQYXCMSVTZHLEZ-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532928
1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532194
1-(4-methylsulfanylphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119825266
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119826415
1-methyl-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119824892
3-[[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 129353558
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119444324
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119825327
methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
CID 134033372
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 55733249

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride (CID 119823179) is 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride is CCCN(C(=O)C1CC(=O)N(c2ccccc2Cl)C1)C1CCNCC1.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MQYXCMSVTZHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2.ClH/c1-2-11-22(15-7-9-21-10-8-15)19(25)14-12-18(24)23(13-14)17-6-4-3-5-16(17)20;/h3-6,14-15,21H,2,7-13H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride?
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).