4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one

C21H22N2O4 — CID 2552887

IUPAC4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)oc2c1C
InChIInChI=1S/C21H22N2O4/c1-14-5-6-17-16(12-19(24)27-20(17)15(14)2)13-22-7-9-23(10-8-22)21(25)18-4-3-11-26-18/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyCTOOTTYUJXXPLA-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.96
Rot. Bonds3

About 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one

4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one (PubChem CID 2552887) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one.

Molecular Properties

Compound Name4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
PubChem CID2552887
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)oc2c1C
InChIInChI=1S/C21H22N2O4/c1-14-5-6-17-16(12-19(24)27-20(17)15(14)2)13-22-7-9-23(10-8-22)21(25)18-4-3-11-26-18/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyCTOOTTYUJXXPLA-UHFFFAOYSA-N
XLogP2.96
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-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

N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
1-Furan-2-ylmethyl-4-(3-methoxy-benzyl)-piperazine
CID 24762012
Ethyl 2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CID 4170858
2-Hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
CID 88947020
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(furan-2-yl)methanone
CID 751492
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
CID 2715806
5-[4-(2-Furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
CID 2812276
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(2-methoxyphenyl)ethan-1-one
CID 6470283
N-(2-{[2-(3,4-dimethylphenoxy)acetyl]amino}ethyl)-2-furamide
CID 6490919
(E)-3-(2-ethoxyphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9509480

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one?
The IUPAC name of 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one (CID 2552887) is 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one.
What is the SMILES notation for 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one?
The canonical SMILES for 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one is Cc1ccc2c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)oc2c1C.
What is the InChIKey of 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one?
The InChIKey is CTOOTTYUJXXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-5-6-17-16(12-19(24)27-20(17)15(14)2)13-22-7-9-23(10-8-22)21(25)18-4-3-11-26-18/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one?
4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one is sourced from PubChem (CID 2552887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).