8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one

C17H19NO3 — CID 100794231

IUPAC8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12
InChIInChI=1S/C17H19NO3/c1-11-6-8-18(9-7-11)16(19)14-10-13-5-3-4-12(2)15(13)21-17(14)20/h3-5,10-11H,6-9H2,1-2H3
InChIKeyWIIHJKIXCBNLDZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.97
Rot. Bonds1

About 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one

8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one (PubChem CID 100794231) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
PubChem CID100794231
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12
InChIInChI=1S/C17H19NO3/c1-11-6-8-18(9-7-11)16(19)14-10-13-5-3-4-12(2)15(13)21-17(14)20/h3-5,10-11H,6-9H2,1-2H3
InChIKeyWIIHJKIXCBNLDZ-UHFFFAOYSA-N
XLogP2.97
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-3-(4-methylpiperidine-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

(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
8-methoxy-3-(7-phenyl-1,4-thiazepane-4-carbonyl)chromen-2-one
CID 72720367
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
CID 62045780
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
CID 71799381
1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 26462498
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one (CID 100794231) is 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one is Cc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12.
What is the InChIKey of 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The InChIKey is WIIHJKIXCBNLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-6-8-18(9-7-11)16(19)14-10-13-5-3-4-12(2)15(13)21-17(14)20/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 100794231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).