4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one

C14H18N2O — CID 142243536

IUPAC4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C)CCN1c1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-12-5-7-13(8-6-12)16-10-9-15(3)14(17)11(16)2/h5-8H,2,4,9-10H2,1,3H3
InChIKeyRTZMBUKRLNZUKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one

4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one (PubChem CID 142243536) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
PubChem CID142243536
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C)CCN1c1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-12-5-7-13(8-6-12)16-10-9-15(3)14(17)11(16)2/h5-8H,2,4,9-10H2,1,3H3
InChIKeyRTZMBUKRLNZUKF-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one?
The IUPAC name of 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one (CID 142243536) is 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one is C=C1C(=O)N(C)CCN1c1ccc(CC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one?
The InChIKey is RTZMBUKRLNZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12-5-7-13(8-6-12)16-10-9-15(3)14(17)11(16)2/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one?
4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one is sourced from PubChem (CID 142243536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).