2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide

C19H25N3O3 — CID 109134716

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H25N3O3/c1-3-14-6-4-5-7-17(14)20-18(24)15-12-16(15)19(25)22-10-8-21(9-11-22)13(2)23/h4-7,15-16H,3,8-12H2,1-2H3,(H,20,24)
InChIKeyMOIVFYOYVZOBSO-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide (PubChem CID 109134716) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
PubChem CID109134716
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H25N3O3/c1-3-14-6-4-5-7-17(14)20-18(24)15-12-16(15)19(25)22-10-8-21(9-11-22)13(2)23/h4-7,15-16H,3,8-12H2,1-2H3,(H,20,24)
InChIKeyMOIVFYOYVZOBSO-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109134727
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142024
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109134650
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide (CID 109134716) is 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is MOIVFYOYVZOBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-14-6-4-5-7-17(14)20-18(24)15-12-16(15)19(25)22-10-8-21(9-11-22)13(2)23/h4-7,15-16H,3,8-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).