tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate

C19H24N2O4 — CID 71484907

IUPACtert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate
SMILESCc1cc(=O)oc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C19H24N2O4/c1-13-12-16(22)24-15-7-5-6-14(17(13)15)20-8-10-21(11-9-20)18(23)25-19(2,3)4/h5-7,12H,8-11H2,1-4H3
InChIKeyPEYGMVDFEDCEHI-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.16
Rot. Bonds1

About tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate

tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate (PubChem CID 71484907) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate
PubChem CID71484907
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate
SMILESCc1cc(=O)oc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C19H24N2O4/c1-13-12-16(22)24-15-7-5-6-14(17(13)15)20-8-10-21(11-9-20)18(23)25-19(2,3)4/h5-7,12H,8-11H2,1-4H3
InChIKeyPEYGMVDFEDCEHI-UHFFFAOYSA-N
XLogP3.16
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate 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

tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxylate
CID 170979759
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
CID 69420021
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 4-(3-bromo-2-fluorophenyl)piperazine-1-carboxylate
CID 170163901
tert-butyl 4-[3-(chloromethyl)-2-fluorophenyl]piperazine-1-carboxylate
CID 66765315
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(3-formyl-1H-indol-4-yl)piperazine-1-carboxylate
CID 87356354
tert-butyl 4-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine-1-carboxylate
CID 53238819
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate (CID 71484907) is tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate is Cc1cc(=O)oc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12.
What is the InChIKey of tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate?
The InChIKey is PEYGMVDFEDCEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-12-16(22)24-15-7-5-6-14(17(13)15)20-8-10-21(11-9-20)18(23)25-19(2,3)4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methyl-2-oxochromen-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 71484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).