6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one

C18H26N2O3 — CID 110830655

IUPAC6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1CCCN(CCC(O)c2ccc3c(c2)NC(=O)C(C)O3)C1
InChIInChI=1S/C18H26N2O3/c1-12-4-3-8-20(11-12)9-7-16(21)14-5-6-17-15(10-14)19-18(22)13(2)23-17/h5-6,10,12-13,16,21H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyYUDSQXQNQYBRIN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.56
Rot. Bonds4

About 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one

6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 110830655) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID110830655
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1CCCN(CCC(O)c2ccc3c(c2)NC(=O)C(C)O3)C1
InChIInChI=1S/C18H26N2O3/c1-12-4-3-8-20(11-12)9-7-16(21)14-5-6-17-15(10-14)19-18(22)13(2)23-17/h5-6,10,12-13,16,21H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyYUDSQXQNQYBRIN-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
6-(1-hydroxypropyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623043
6-[(1R)-1-hydroxypropyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82758141
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82216201
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
6-[dimethylamino(hydroxy)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116909591
6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82216203
6-[amino(cyclopentyl)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82500530
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
6-[1-(dimethylamino)-3-hydroxypropyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116907684

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one (CID 110830655) is 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one is CC1CCCN(CCC(O)c2ccc3c(c2)NC(=O)C(C)O3)C1.
What is the InChIKey of 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is YUDSQXQNQYBRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-4-3-8-20(11-12)9-7-16(21)14-5-6-17-15(10-14)19-18(22)13(2)23-17/h5-6,10,12-13,16,21H,3-4,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 318.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).