3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride

C15H17ClN2O3 — CID 90673468

IUPAC3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
SMILESCN1CCN(C(=O)c2coc3ccccc3c2=O)CC1.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-16-6-8-17(9-7-16)15(19)12-10-20-13-5-3-2-4-11(13)14(12)18;/h2-5,10H,6-9H2,1H3;1H
InChIKeyLIJSALJZDXSTEY-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.60
Rot. Bonds1

About 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride

3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride (PubChem CID 90673468) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
PubChem CID90673468
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
SMILESCN1CCN(C(=O)c2coc3ccccc3c2=O)CC1.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-16-6-8-17(9-7-16)15(19)12-10-20-13-5-3-2-4-11(13)14(12)18;/h2-5,10H,6-9H2,1H3;1H
InChIKeyLIJSALJZDXSTEY-UHFFFAOYSA-N
XLogP1.60
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 136528844
6-chloro-3-(piperidine-1-carbonyl)chromen-4-one
CID 42882768
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-benzofuran-3-yl-(3-bromopyrrolidin-1-yl)methanone
CID 80677908
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
CID 115275136
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride (CID 90673468) is 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride is CN1CCN(C(=O)c2coc3ccccc3c2=O)CC1.Cl.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The InChIKey is LIJSALJZDXSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.ClH/c1-16-6-8-17(9-7-16)15(19)12-10-20-13-5-3-2-4-11(13)14(12)18;/h2-5,10H,6-9H2,1H3;1H.
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 90673468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).