(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C15H24N2O — CID 59744084

IUPAC(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1=CCC(C(=O)N2CCN(C(C)C)CC2)C=C1
InChIInChI=1S/C15H24N2O/c1-12(2)16-8-10-17(11-9-16)15(18)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyMKTOPMUPKRXKLA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds2

About (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59744084) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59744084
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1=CCC(C(=O)N2CCN(C(C)C)CC2)C=C1
InChIInChI=1S/C15H24N2O/c1-12(2)16-8-10-17(11-9-16)15(18)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyMKTOPMUPKRXKLA-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(2-Fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59744090
(2-Fluorocyclohexa-2,4-dien-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 71051127
1-[(7Z)-2-methyl-3,4,6,11a-tetrahydro-1H-2,5-benzodiazonin-5-yl]ethanone
CID 14944940
(Z,3E)-1-[(2S)-2-ethylpiperazin-1-yl]-3-(1-fluoroethylidene)hex-4-en-1-one
CID 178781828
1-[(1-Cyclohex-2-en-1-yl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-4-(3-methylbutanoyl)piperazine
CID 50978405
(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 24842201
(E)-3,6,6-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)hept-3-en-1-one
CID 58757085
(5-Chlorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59744080
2-(4-Methylbenzene-5-id-1-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;yttrium
CID 60096079
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 68210753
3-Cyclohexa-2,4-dien-1-yl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 68264249
5,9,13,17-Tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 70471894

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59744084) is (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC1=CCC(C(=O)N2CCN(C(C)C)CC2)C=C1.
What is the InChIKey of (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MKTOPMUPKRXKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)16-8-10-17(11-9-16)15(18)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59744084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).