ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate

C19H24N2O5 — CID 55476397

IUPACethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CN3CCC(OC)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O5/c1-3-25-19(23)20-14-4-5-16-13(10-18(22)26-17(16)11-14)12-21-8-6-15(24-2)7-9-21/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyQOZQJDXGQXLMGT-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.97
Rot. Bonds5

About ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate

ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate (PubChem CID 55476397) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
PubChem CID55476397
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CN3CCC(OC)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O5/c1-3-25-19(23)20-14-4-5-16-13(10-18(22)26-17(16)11-14)12-21-8-6-15(24-2)7-9-21/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyQOZQJDXGQXLMGT-UHFFFAOYSA-N
XLogP2.97
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.97
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

ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
CID 46405824
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
ethyl N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate
CID 26990190
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
ethyl N-[4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-oxochromen-7-yl]carbamate
CID 43061695
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-phenylsulfanylacetate
CID 40619628
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864026
ethyl N-[4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-oxochromen-7-yl]carbamate
CID 46806716
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916751
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The IUPAC name of ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate (CID 55476397) is ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate is CCOC(=O)Nc1ccc2c(CN3CCC(OC)CC3)cc(=O)oc2c1.
What is the InChIKey of ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The InChIKey is QOZQJDXGQXLMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-25-19(23)20-14-4-5-16-13(10-18(22)26-17(16)11-14)12-21-8-6-15(24-2)7-9-21/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,20,23).
What are the key properties of ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate is sourced from PubChem (CID 55476397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).