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

C19H25N3O3 — CID 108974430

IUPAC1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-15(23)21-11-13-22(14-12-21)18(25)19(8-9-19)17(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H,20,24)
InChIKeyOEKKUBOTDRNDLU-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.82
Rot. Bonds5

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

1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 108974430) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
PubChem CID108974430
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-15(23)21-11-13-22(14-12-21)18(25)19(8-9-19)17(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H,20,24)
InChIKeyOEKKUBOTDRNDLU-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
N-[2-(4-chlorophenyl)ethyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974114
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
ethyl 4-[1-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108977457
1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 108978115
N-[2-(4-fluorophenyl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108977459
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 108974104
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108971987
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108973072

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide (CID 108974430) is 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is OEKKUBOTDRNDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15(23)21-11-13-22(14-12-21)18(25)19(8-9-19)17(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H,20,24).
What are the key properties of 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide?
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).