(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

C16H23N3O2 — CID 107392798

IUPAC(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccc3c2NCCN3)C1
InChIInChI=1S/C16H23N3O2/c1-16(21-2)7-4-10-19(11-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,17-18H,4,7-11H2,1-2H3
InChIKeyDORVSFIAGXPGRY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.17
Rot. Bonds2

About (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (PubChem CID 107392798) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
PubChem CID107392798
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccc3c2NCCN3)C1
InChIInChI=1S/C16H23N3O2/c1-16(21-2)7-4-10-19(11-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,17-18H,4,7-11H2,1-2H3
InChIKeyDORVSFIAGXPGRY-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392487
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 107392530
(3-chloro-2-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392248
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 106669665
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615006

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (CID 107392798) is (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.
What is the SMILES notation for (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The canonical SMILES for (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is COC1(C)CCCN(C(=O)c2cccc3c2NCCN3)C1.
What is the InChIKey of (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The InChIKey is DORVSFIAGXPGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(21-2)7-4-10-19(11-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,17-18H,4,7-11H2,1-2H3.
What are the key properties of (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is sourced from PubChem (CID 107392798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).