6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride

C17H23ClN2O3 — CID 119461393

IUPAC6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)NCC1CCCNC1)CO2.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-15-4-5-16-13(8-15)7-14(11-22-16)17(20)19-10-12-3-2-6-18-9-12;/h4-5,7-8,12,18H,2-3,6,9-11H2,1H3,(H,19,20);1H
InChIKeyCHTIHADLJQLFCL-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.01
Rot. Bonds4

About 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride

6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119461393) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119461393
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)NCC1CCCNC1)CO2.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-15-4-5-16-13(8-15)7-14(11-22-16)17(20)19-10-12-3-2-6-18-9-12;/h4-5,7-8,12,18H,2-3,6,9-11H2,1H3,(H,19,20);1H
InChIKeyCHTIHADLJQLFCL-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2,5-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627649

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride (CID 119461393) is 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)C=C(C(=O)NCC1CCCNC1)CO2.Cl.
What is the InChIKey of 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is CHTIHADLJQLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-21-15-4-5-16-13(8-15)7-14(11-22-16)17(20)19-10-12-3-2-6-18-9-12;/h4-5,7-8,12,18H,2-3,6,9-11H2,1H3,(H,19,20);1H.
What are the key properties of 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride?
6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).