N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride

C15H18ClN3O3 — CID 139662921

IUPACN-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc2cccc(N3CCNCC3)c2oc1=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10(19)17-12-9-11-3-2-4-13(14(11)21-15(12)20)18-7-5-16-6-8-18;/h2-4,9,16H,5-8H2,1H3,(H,17,19);1H
InChIKeyRQVLRQJOOUVXLV-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.58
Rot. Bonds2

About N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride

N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride (PubChem CID 139662921) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride
PubChem CID139662921
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1cc2cccc(N3CCNCC3)c2oc1=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10(19)17-12-9-11-3-2-4-13(14(11)21-15(12)20)18-7-5-16-6-8-18;/h2-4,9,16H,5-8H2,1H3,(H,17,19);1H
InChIKeyRQVLRQJOOUVXLV-UHFFFAOYSA-N
XLogP1.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.58
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

3-methyl-8-piperazin-1-ylchromen-2-one
CID 22355296
2-oxo-8-piperazin-1-ylchromene-3-carboxamide
CID 87768437
3-amino-8-piperazin-1-ylchromen-2-one;sulfuric acid
CID 11427871
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 20644640
3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride
CID 66894439
1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 66893590
1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
CID 176967580
(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 140512107
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
methyl 4-(2-methyl-3-piperazin-1-ylanilino)-4-oxobutanoate
CID 142651964

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride (CID 139662921) is N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride is CC(=O)Nc1cc2cccc(N3CCNCC3)c2oc1=O.Cl.
What is the InChIKey of N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride?
The InChIKey is RQVLRQJOOUVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-10(19)17-12-9-11-3-2-4-13(14(11)21-15(12)20)18-7-5-16-6-8-18;/h2-4,9,16H,5-8H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride?
N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 139662921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).