2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C17H22ClN3O4 — CID 119447724

IUPAC2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc2ccc(=O)oc2c1)NCCN1CCNCC1
InChIInChI=1S/C17H21N3O4.ClH/c21-16(19-7-10-20-8-5-18-6-9-20)12-23-14-3-1-13-2-4-17(22)24-15(13)11-14;/h1-4,11,18H,5-10,12H2,(H,19,21);1H
InChIKeyDGWICHTZEROQPY-UHFFFAOYSA-N
MW367.83 g/mol
LogP0.62
Rot. Bonds6

About 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119447724) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119447724
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc2ccc(=O)oc2c1)NCCN1CCNCC1
InChIInChI=1S/C17H21N3O4.ClH/c21-16(19-7-10-20-8-5-18-6-9-20)12-23-14-3-1-13-2-4-17(22)24-15(13)11-14;/h1-4,11,18H,5-10,12H2,(H,19,21);1H
InChIKeyDGWICHTZEROQPY-UHFFFAOYSA-N
XLogP0.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 100617499
2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119427483
7-[2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)ethoxy]chromen-2-one
CID 22720384
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethoxy]chromen-2-one
CID 120994735
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119447728
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119447724) is 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc2ccc(=O)oc2c1)NCCN1CCNCC1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is DGWICHTZEROQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c21-16(19-7-10-20-8-5-18-6-9-20)12-23-14-3-1-13-2-4-17(22)24-15(13)11-14;/h1-4,11,18H,5-10,12H2,(H,19,21);1H.
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119447724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).