8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide

C17H22N2O3 — CID 120601576

IUPAC8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCNC(C)C1)=C2
InChIInChI=1S/C17H22N2O3/c1-11-8-14(6-7-18-11)19-17(20)13-9-12-4-3-5-15(21-2)16(12)22-10-13/h3-5,9,11,14,18H,6-8,10H2,1-2H3,(H,19,20)
InChIKeyWGFWSDLADFRROA-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.73
Rot. Bonds3

About 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide

8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide (PubChem CID 120601576) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide
PubChem CID120601576
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCNC(C)C1)=C2
InChIInChI=1S/C17H22N2O3/c1-11-8-14(6-7-18-11)19-17(20)13-9-12-4-3-5-15(21-2)16(12)22-10-13/h3-5,9,11,14,18H,6-8,10H2,1-2H3,(H,19,20)
InChIKeyWGFWSDLADFRROA-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
3-ethoxy-1-[(8-methoxy-2H-chromene-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699808
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide (CID 120601576) is 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NC1CCNC(C)C1)=C2.
What is the InChIKey of 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide?
The InChIKey is WGFWSDLADFRROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-8-14(6-7-18-11)19-17(20)13-9-12-4-3-5-15(21-2)16(12)22-10-13/h3-5,9,11,14,18H,6-8,10H2,1-2H3,(H,19,20).
What are the key properties of 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide?
8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 120601576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).