1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one

C14H18N2O — CID 176558003

IUPAC1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C2=CC=C(C)C2)C(=C)C1
InChIInChI=1S/C14H18N2O/c1-4-14(17)15-7-8-16(12(3)10-15)13-6-5-11(2)9-13/h4-6H,1,3,7-10H2,2H3
InChIKeyJCVYHXOGJFPBEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds2

About 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one

1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one (PubChem CID 176558003) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one
PubChem CID176558003
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C2=CC=C(C)C2)C(=C)C1
InChIInChI=1S/C14H18N2O/c1-4-14(17)15-7-8-16(12(3)10-15)13-6-5-11(2)9-13/h4-6H,1,3,7-10H2,2H3
InChIKeyJCVYHXOGJFPBEI-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-[4-acetyl-3-[(3Z)-2-fluoropenta-1,3-dien-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 176676800
1,4-Diacetyltetrahydroquinoxaline
CID 129796264
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
1-(4-Cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone
CID 22485371
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide
CID 67562994
(Z,2E)-2-ethylidene-1-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pent-3-en-1-one
CID 89633268
(Z,2E)-2-ethylidene-1-(4-ethylpiperazin-1-yl)pent-3-en-1-one
CID 89633273
(E)-1-[4-[(1E)-3-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]piperazin-1-yl]pent-2-en-1-one
CID 89730091
(12Z)-2-methyl-11-methylidene-4,6,7,8,9,10-hexahydro-3H-pyrazino[1,2-a]azonin-1-one
CID 117810121
4-Methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one
CID 123163660
2-Ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one
CID 123354087
1-[2,3-Di(ethylidene)pyrrol-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 123513037

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one (CID 176558003) is 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C2=CC=C(C)C2)C(=C)C1.
What is the InChIKey of 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one?
The InChIKey is JCVYHXOGJFPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(17)15-7-8-16(12(3)10-15)13-6-5-11(2)9-13/h4-6H,1,3,7-10H2,2H3.
What are the key properties of 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one?
1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one has a molecular weight of 230.31 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 1-[4-(4-methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 176558003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).