N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H25N3O3 — CID 109134431

IUPACN-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-21-7-9-22(10-8-21)19(25)17-12-16(17)18(24)20-15-6-4-5-14(11-15)13(2)23/h4-6,11,16-17H,3,7-10,12H2,1-2H3,(H,20,24)
InChIKeyUPVJLWFOAFVDSZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.63
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134431) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134431
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H25N3O3/c1-3-21-7-9-22(10-8-21)19(25)17-12-16(17)18(24)20-15-6-4-5-14(11-15)13(2)23/h4-6,11,16-17H,3,7-10,12H2,1-2H3,(H,20,24)
InChIKeyUPVJLWFOAFVDSZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134387
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
N-(3-acetylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960966
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
N-(5-chloro-2-methylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134408

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134431) is N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is UPVJLWFOAFVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-21-7-9-22(10-8-21)19(25)17-12-16(17)18(24)20-15-6-4-5-14(11-15)13(2)23/h4-6,11,16-17H,3,7-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).