[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

C18H20ClNO4 — CID 46641376

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC1CCCCN1C(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H20ClNO4/c1-12-4-2-3-7-20(12)17(21)11-24-18(22)14-8-13-9-15(19)5-6-16(13)23-10-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyAYUISFYYMSWJMR-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.06
Rot. Bonds3

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (PubChem CID 46641376) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
PubChem CID46641376
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC1CCCCN1C(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H20ClNO4/c1-12-4-2-3-7-20(12)17(21)11-24-18(22)14-8-13-9-15(19)5-6-16(13)23-10-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyAYUISFYYMSWJMR-UHFFFAOYSA-N
XLogP3.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate with MolForge

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580080
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556660
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537798
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641415
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641315
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392624
2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
CID 22578416
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (CID 46641376) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is CC1CCCCN1C(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The InChIKey is AYUISFYYMSWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-12-4-2-3-7-20(12)17(21)11-24-18(22)14-8-13-9-15(19)5-6-16(13)23-10-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate has a molecular weight of 349.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 46641376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).