2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone

C16H22N2O2 — CID 107392419

IUPAC2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc3c(c2)NCC3)C1
InChIInChI=1S/C16H22N2O2/c1-16(20-2)7-3-9-18(11-16)15(19)13-5-4-12-6-8-17-14(12)10-13/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyXDVQYARXDVFLER-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds2

About 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone

2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392419) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392419
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc3c(c2)NCC3)C1
InChIInChI=1S/C16H22N2O2/c1-16(20-2)7-3-9-18(11-16)15(19)13-5-4-12-6-8-17-14(12)10-13/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyXDVQYARXDVFLER-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866
4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888861
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392487
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222896

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392419) is 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2ccc3c(c2)NCC3)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is XDVQYARXDVFLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(20-2)7-3-9-18(11-16)15(19)13-5-4-12-6-8-17-14(12)10-13/h4-5,10,17H,3,6-9,11H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).