2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

C19H26N4O3 — CID 109134762

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-13(24)22-8-10-23(11-9-22)19(26)17-12-16(17)18(25)20-14-4-6-15(7-5-14)21(2)3/h4-7,16-17H,8-12H2,1-3H3,(H,20,25)
InChIKeyOGKNDXWHRCAIDV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.02
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 109134762) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID109134762
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-13(24)22-8-10-23(11-9-22)19(26)17-12-16(17)18(25)20-14-4-6-15(7-5-14)21(2)3/h4-7,16-17H,8-12H2,1-3H3,(H,20,25)
InChIKeyOGKNDXWHRCAIDV-UHFFFAOYSA-N
XLogP1.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109134727
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (CID 109134762) is 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OGKNDXWHRCAIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(24)22-8-10-23(11-9-22)19(26)17-12-16(17)18(25)20-14-4-6-15(7-5-14)21(2)3/h4-7,16-17H,8-12H2,1-3H3,(H,20,25).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).