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

C19H27N3O2 — CID 109134387

IUPACN-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-21-7-9-22(10-8-21)19(24)17-12-16(17)18(23)20-15-6-5-13(2)14(3)11-15/h5-6,11,16-17H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyIXABUURNWFMBSX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134387) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134387
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-21-7-9-22(10-8-21)19(24)17-12-16(17)18(23)20-15-6-5-13(2)14(3)11-15/h5-6,11,16-17H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyIXABUURNWFMBSX-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
N-(5-chloro-2-methylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134408
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138752
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138987
N-(3-bromo-4-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134582
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134365
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134387) is N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2CC2C(=O)Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is IXABUURNWFMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-21-7-9-22(10-8-21)19(24)17-12-16(17)18(23)20-15-6-5-13(2)14(3)11-15/h5-6,11,16-17H,4,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).