(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

C16H23N3O — CID 104615061

IUPAC(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc3c(c2)NCCN3)C1
InChIInChI=1S/C16H23N3O/c1-16(2)6-3-9-19(11-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,10,17-18H,3,6-9,11H2,1-2H3
InChIKeyHLJMSCXZYPHQQW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds1

About (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (PubChem CID 104615061) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
PubChem CID104615061
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc3c(c2)NCCN3)C1
InChIInChI=1S/C16H23N3O/c1-16(2)6-3-9-19(11-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,10,17-18H,3,6-9,11H2,1-2H3
InChIKeyHLJMSCXZYPHQQW-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
(3-chloro-4-nitrophenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 82780227
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121
N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680658
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
3-[3-(3,3-dimethylpiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 77016560

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (CID 104615061) is (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is CC1(C)CCCN(C(=O)c2ccc3c(c2)NCCN3)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The InChIKey is HLJMSCXZYPHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2)6-3-9-19(11-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,10,17-18H,3,6-9,11H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is sourced from PubChem (CID 104615061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).