2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride

C16H19ClN2O4 — CID 119427483

IUPAC2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCNC1
InChIInChI=1S/C16H18N2O4.ClH/c19-15(18-12-2-1-7-17-9-12)10-21-13-5-3-11-4-6-16(20)22-14(11)8-13;/h3-6,8,12,17H,1-2,7,9-10H2,(H,18,19);1H
InChIKeyYCDQQUUKWADTQI-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride

2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 119427483) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID119427483
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCNC1
InChIInChI=1S/C16H18N2O4.ClH/c19-15(18-12-2-1-7-17-9-12)10-21-13-5-3-11-4-6-16(20)22-14(11)8-13;/h3-6,8,12,17H,1-2,7,9-10H2,(H,18,19);1H
InChIKeyYCDQQUUKWADTQI-UHFFFAOYSA-N
XLogP1.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 32541213
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
7-piperidin-3-yloxychromen-2-one
CID 46735671
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
2-(4-benzoylphenoxy)-N-piperidin-3-ylacetamide
CID 119426216
7-(piperidin-4-ylmethoxy)chromen-2-one
CID 26191137
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride (CID 119427483) is 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride is Cl.O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCNC1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is YCDQQUUKWADTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.ClH/c19-15(18-12-2-1-7-17-9-12)10-21-13-5-3-11-4-6-16(20)22-14(11)8-13;/h3-6,8,12,17H,1-2,7,9-10H2,(H,18,19);1H.
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride?
2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 338.79 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).