1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone

C16H20N2O2 — CID 875936

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H20N2O2/c19-15(12-13-4-2-1-3-5-13)17-8-10-18(11-9-17)16(20)14-6-7-14/h1-5,14H,6-12H2
InChIKeyBQVJLSSHPPYYDV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds3

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 875936) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
PubChem CID875936
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H20N2O2/c19-15(12-13-4-2-1-3-5-13)17-8-10-18(11-9-17)16(20)14-6-7-14/h1-5,14H,6-12H2
InChIKeyBQVJLSSHPPYYDV-UHFFFAOYSA-N
XLogP1.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone (CID 875936) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is BQVJLSSHPPYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(12-13-4-2-1-3-5-13)17-8-10-18(11-9-17)16(20)14-6-7-14/h1-5,14H,6-12H2.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 272.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 875936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).