1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one

C16H20N2O2 — CID 20722123

IUPAC1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
SMILESC=Cc1ccc(C(=O)N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-5-7-14(8-6-13)16(20)18-11-9-17(10-12-18)15(19)4-2/h3,5-8H,1,4,9-12H2,2H3
InChIKeyALGBKGQUDLIGIA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds3

About 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one

1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 20722123) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID20722123
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
SMILESC=Cc1ccc(C(=O)N2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-5-7-14(8-6-13)16(20)18-11-9-17(10-12-18)15(19)4-2/h3,5-8H,1,4,9-12H2,2H3
InChIKeyALGBKGQUDLIGIA-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 20722124
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
CID 4621102
(E)-3-(4-bromophenyl)-1-[4-(4-ethenylbenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 122434932
(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone
CID 129253985
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
1-[4-(3-bromo-4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 103706987
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
1-[4-(3,5-diaminobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 61140461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one (CID 20722123) is 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one is C=Cc1ccc(C(=O)N2CCN(C(=O)CC)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is ALGBKGQUDLIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-5-7-14(8-6-13)16(20)18-11-9-17(10-12-18)15(19)4-2/h3,5-8H,1,4,9-12H2,2H3.
What are the key properties of 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one?
1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 20722123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).