8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride

C15H20ClN3O3 — CID 119490561

IUPAC8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-16-10-4-3-7-18(8-10)15(20)11-5-2-6-12-14(11)21-9-13(19)17-12;/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,19);1H
InChIKeyXIBFEPZSYDBVTP-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.26
Rot. Bonds2

About 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride

8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride (PubChem CID 119490561) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride.

Molecular Properties

Compound Name8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
PubChem CID119490561
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-16-10-4-3-7-18(8-10)15(20)11-5-2-6-12-14(11)21-9-13(19)17-12;/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,19);1H
InChIKeyXIBFEPZSYDBVTP-UHFFFAOYSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-phenylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 154859381
8-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 120996295
8-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120805444
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725
8-[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95339438
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119491726

Frequently Asked Questions

What is the IUPAC name of 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The IUPAC name of 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride (CID 119490561) is 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride.
What is the SMILES notation for 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The canonical SMILES for 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride is CNC1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1.Cl.
What is the InChIKey of 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The InChIKey is XIBFEPZSYDBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-16-10-4-3-7-18(8-10)15(20)11-5-2-6-12-14(11)21-9-13(19)17-12;/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,19);1H.
What are the key properties of 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride?
8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride is sourced from PubChem (CID 119490561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).