2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide

C17H22N4O3 — CID 9223376

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H22N4O3/c22-15(19-17(24)18-14-6-7-14)12-20-8-10-21(11-9-20)16(23)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,22,24)
InChIKeyKDNVITNBSXEJKI-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.43
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 9223376) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID9223376
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H22N4O3/c22-15(19-17(24)18-14-6-7-14)12-20-8-10-21(11-9-20)16(23)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,22,24)
InChIKeyKDNVITNBSXEJKI-UHFFFAOYSA-N
XLogP0.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9223139
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55829505
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
N-(cyclopropylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759239
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875811
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120761248

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide (CID 9223376) is 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NC1CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is KDNVITNBSXEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15(19-17(24)18-14-6-7-14)12-20-8-10-21(11-9-20)16(23)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,22,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 9223376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).