6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one

C19H22N2O4 — CID 6456871

IUPAC6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
SMILESC=C(C)CN1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1
InChIInChI=1S/C19H22N2O4/c1-13(2)12-20-6-8-21(9-7-20)18(22)16-11-14-10-15(24-3)4-5-17(14)25-19(16)23/h4-5,10-11H,1,6-9,12H2,2-3H3
InChIKeyXILMQSYMPGNRPG-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.14
Rot. Bonds4

About 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one

6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one (PubChem CID 6456871) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
PubChem CID6456871
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
SMILESC=C(C)CN1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1
InChIInChI=1S/C19H22N2O4/c1-13(2)12-20-6-8-21(9-7-20)18(22)16-11-14-10-15(24-3)4-5-17(14)25-19(16)23/h4-5,10-11H,1,6-9,12H2,2-3H3
InChIKeyXILMQSYMPGNRPG-UHFFFAOYSA-N
XLogP2.14
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-benzylpiperazine-1-carbonyl)-6-ethoxychromen-2-one
CID 17088131
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899
6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
CID 2146209
N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 171914495
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
6-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-2-one
CID 1043849
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754
3-(4-bromobenzoyl)-6-methoxychromen-2-one
CID 141458884

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The IUPAC name of 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one (CID 6456871) is 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one is C=C(C)CN1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1.
What is the InChIKey of 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The InChIKey is XILMQSYMPGNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)12-20-6-8-21(9-7-20)18(22)16-11-14-10-15(24-3)4-5-17(14)25-19(16)23/h4-5,10-11H,1,6-9,12H2,2-3H3.
What are the key properties of 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 6456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).