N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H26ClN3O4 — CID 108974233

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)CC1
InChIInChI=1S/C19H26ClN3O4/c1-4-22-7-9-23(10-8-22)18(25)19(5-6-19)17(24)21-14-12-15(26-2)13(20)11-16(14)27-3/h11-12H,4-10H2,1-3H3,(H,21,24)
InChIKeyKRZOCKUFMWVAOG-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.24
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974233) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974233
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)CC1
InChIInChI=1S/C19H26ClN3O4/c1-4-22-7-9-23(10-8-22)18(25)19(5-6-19)17(24)21-14-12-15(26-2)13(20)11-16(14)27-3/h11-12H,4-10H2,1-3H3,(H,21,24)
InChIKeyKRZOCKUFMWVAOG-UHFFFAOYSA-N
XLogP2.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224
N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110769554
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(4-chloro-2,5-dimethoxyphenyl)-4-formylpiperazine-1-carbothioamide
CID 3456143
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxobutanamide
CID 9162779
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974203

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974233) is N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)CC1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is KRZOCKUFMWVAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-4-22-7-9-23(10-8-22)18(25)19(5-6-19)17(24)21-14-12-15(26-2)13(20)11-16(14)27-3/h11-12H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).