2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide

C19H25N3O3 — CID 109134650

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-13-5-3-4-6-15(13)12-20-18(24)16-11-17(16)19(25)22-9-7-21(8-10-22)14(2)23/h3-6,16-17H,7-12H2,1-2H3,(H,20,24)
InChIKeyDWGKRAUMDKKEPX-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 109134650) 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-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID109134650
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-13-5-3-4-6-15(13)12-20-18(24)16-11-17(16)19(25)22-9-7-21(8-10-22)14(2)23/h3-6,16-17H,7-12H2,1-2H3,(H,20,24)
InChIKeyDWGKRAUMDKKEPX-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
CID 108984475
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135182
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
1-N-(2,5-dichlorophenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135271
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 109134650) is 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is DWGKRAUMDKKEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-5-3-4-6-15(13)12-20-18(24)16-11-17(16)19(25)22-9-7-21(8-10-22)14(2)23/h3-6,16-17H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.94, 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-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109134650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).