4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide

C19H27N3O2 — CID 110406768

IUPAC4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)13-20-18(23)15-5-7-17(8-6-15)21-9-11-22(12-10-21)19(24)16-3-4-16/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyIQGIGZKUPPCAEL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.13
Rot. Bonds5

About 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide (PubChem CID 110406768) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
PubChem CID110406768
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)13-20-18(23)15-5-7-17(8-6-15)21-9-11-22(12-10-21)19(24)16-3-4-16/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyIQGIGZKUPPCAEL-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylpropyl)benzamide
CID 110620588
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91287242
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)benzamide
CID 110420258
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide (CID 110406768) is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is IQGIGZKUPPCAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)13-20-18(23)15-5-7-17(8-6-15)21-9-11-22(12-10-21)19(24)16-3-4-16/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide?
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 110406768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).