(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone

C15H17N3O2 — CID 115874915

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C15H17N3O2/c1-15(20)5-2-8-18(10-15)14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,2,5,8,10H2,1H3
InChIKeyAPWDXZHGMDIGQS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone

(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone (PubChem CID 115874915) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
PubChem CID115874915
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C15H17N3O2/c1-15(20)5-2-8-18(10-15)14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,2,5,8,10H2,1H3
InChIKeyAPWDXZHGMDIGQS-UHFFFAOYSA-N
XLogP1.62
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875036
1,5-dimethyl-3,7-bis(quinoxaline-6-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one;[1,5-dimethyl-7-(quinoxaline-6-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 161373531

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone (CID 115874915) is (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone is CC1(O)CCCN(C(=O)c2ccc3nccnc3c2)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone?
The InChIKey is APWDXZHGMDIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(20)5-2-8-18(10-15)14(19)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9,20H,2,5,8,10H2,1H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone?
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 115874915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).