N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H25N3O3 — CID 108974195

IUPACN-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-21-9-11-22(12-10-21)18(25)19(7-8-19)17(24)20-16-6-4-5-15(13-16)14(2)23/h4-6,13H,3,7-12H2,1-2H3,(H,20,24)
InChIKeyAALSMKYYHHTBAL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.77
Rot. Bonds5

About N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974195) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974195
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-21-9-11-22(12-10-21)18(25)19(7-8-19)17(24)20-16-6-4-5-15(13-16)14(2)23/h4-6,13H,3,7-12H2,1-2H3,(H,20,24)
InChIKeyAALSMKYYHHTBAL-UHFFFAOYSA-N
XLogP1.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974193
N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
N-(3-acetylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960966
N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974203
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
1-(4-acetylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974517
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974195) is N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is AALSMKYYHHTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-21-9-11-22(12-10-21)18(25)19(7-8-19)17(24)20-16-6-4-5-15(13-16)14(2)23/h4-6,13H,3,7-12H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).