benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate

C24H26N2O5 — CID 118343797

IUPACbenzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
SMILESCc1c(OC2CCCN(C)C2)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12
InChIInChI=1S/C24H26N2O5/c1-16-21(30-19-9-6-12-26(2)14-19)11-10-18-13-20(23(27)31-22(16)18)25-24(28)29-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,25,28)
InChIKeyJCEKTUWGZXSSGK-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.32
Rot. Bonds5

About benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate

benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate (PubChem CID 118343797) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
PubChem CID118343797
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namebenzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
SMILESCc1c(OC2CCCN(C)C2)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12
InChIInChI=1S/C24H26N2O5/c1-16-21(30-19-9-6-12-26(2)14-19)11-10-18-13-20(23(27)31-22(16)18)25-24(28)29-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,25,28)
InChIKeyJCEKTUWGZXSSGK-UHFFFAOYSA-N
XLogP4.32
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]carbamate
CID 53260576
1,1-dibenzyl-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea;molecular hydrogen
CID 144843329
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]benzamide
CID 53259596
benzyl N-[7-[2-(dimethylamino)ethoxy]-8-methyl-2-oxochromen-3-yl]carbamate
CID 87265987
N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1-(2-phenylethyl)triazole-4-carboxamide
CID 122220141
4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide
CID 118063803
benzyl N-[7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamate
CID 87265704
1-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-phenylphenyl)urea
CID 118064332
8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one
CID 122597655
[6-methoxy-8-methyl-2-oxo-3-(phenylmethoxycarbonylamino)chromen-7-yl] acetate
CID 53261523
1-[3-(3-methylbut-2-enyl)phenyl]-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea;molecular hydrogen
CID 144843331
1-(4-chloro-3-methylphenyl)-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea
CID 118064211

Frequently Asked Questions

What is the IUPAC name of benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate?
The IUPAC name of benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate (CID 118343797) is benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate.
What is the SMILES notation for benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate?
The canonical SMILES for benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate is Cc1c(OC2CCCN(C)C2)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12.
What is the InChIKey of benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate?
The InChIKey is JCEKTUWGZXSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-16-21(30-19-9-6-12-26(2)14-19)11-10-18-13-20(23(27)31-22(16)18)25-24(28)29-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,25,28).
What are the key properties of benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate?
benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate has a molecular weight of 422.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate is sourced from PubChem (CID 118343797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).