1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

C16H19BrN2O2 — CID 31782032

IUPAC1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-12(20)18-8-10-19(11-9-18)15(21)16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3
InChIKeyVVYDZZBNVFZEGH-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.17
Rot. Bonds2

About 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 31782032) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID31782032
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-12(20)18-8-10-19(11-9-18)15(21)16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3
InChIKeyVVYDZZBNVFZEGH-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
1-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,4-diazepan-5-one
CID 56821257
[1-(4-bromophenyl)cyclopropyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900531
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 31782032) is 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is VVYDZZBNVFZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-12(20)18-8-10-19(11-9-18)15(21)16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 351.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 31782032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).