6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119446270

IUPAC6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)NCCN1CCNCC1)CO2.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-22-15-2-3-16-13(11-15)10-14(12-23-16)17(21)19-6-9-20-7-4-18-5-8-20;/h2-3,10-11,18H,4-9,12H2,1H3,(H,19,21);1H
InChIKeyBOYYBMPTMRJCCI-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.91
Rot. Bonds5

About 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride

6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119446270) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119446270
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)NCCN1CCNCC1)CO2.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-22-15-2-3-16-13(11-15)10-14(12-23-16)17(21)19-6-9-20-7-4-18-5-8-20;/h2-3,10-11,18H,4-9,12H2,1H3,(H,19,21);1H
InChIKeyBOYYBMPTMRJCCI-UHFFFAOYSA-N
XLogP0.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119461393
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
6-methoxy-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178314
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
CID 59178325
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride (CID 119446270) is 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)C=C(C(=O)NCCN1CCNCC1)CO2.Cl.
What is the InChIKey of 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is BOYYBMPTMRJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-22-15-2-3-16-13(11-15)10-14(12-23-16)17(21)19-6-9-20-7-4-18-5-8-20;/h2-3,10-11,18H,4-9,12H2,1H3,(H,19,21);1H.
What are the key properties of 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride?
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119446270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).