1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

C19H28Cl2N4O3 — CID 119391867

IUPAC1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCCCN2CCNCC2)CC1=O.Cl
InChIInChI=1S/C19H27ClN4O3.ClH/c1-27-17-4-3-15(20)12-16(17)24-13-14(11-18(24)25)19(26)22-5-2-8-23-9-6-21-7-10-23;/h3-4,12,14,21H,2,5-11,13H2,1H3,(H,22,26);1H
InChIKeyGOQUBFZOVACMIY-UHFFFAOYSA-N
MW431.36 g/mol
LogP1.53
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119391867) has the molecular formula C19H28Cl2N4O3 and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119391867
Molecular FormulaC19H28Cl2N4O3
Molecular Weight431.36 g/mol
Exact Mass430.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCCCN2CCNCC2)CC1=O.Cl
InChIInChI=1S/C19H27ClN4O3.ClH/c1-27-17-4-3-15(20)12-16(17)24-13-14(11-18(24)25)19(26)22-5-2-8-23-9-6-21-7-10-23;/h3-4,12,14,21H,2,5-11,13H2,1H3,(H,22,26);1H
InChIKeyGOQUBFZOVACMIY-UHFFFAOYSA-N
XLogP1.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119446786
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119444947
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119556384
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55692250
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 55554296
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29127931
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119391766
1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862
(3R)-1-(2,5-dimethoxyphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9394742
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119391867) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(Cl)cc1N1CC(C(=O)NCCCN2CCNCC2)CC1=O.Cl.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GOQUBFZOVACMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3.ClH/c1-27-17-4-3-15(20)12-16(17)24-13-14(11-18(24)25)19(26)22-5-2-8-23-9-6-21-7-10-23;/h3-4,12,14,21H,2,5-11,13H2,1H3,(H,22,26);1H.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 431.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119391867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).