[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

C17H24N2O2 — CID 106586999

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCOCC1CCCN(C(=O)C2CNc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O2/c1-21-12-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)18-10-15/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3
InChIKeyMDQJBEYKTLSCII-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.16
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (PubChem CID 106586999) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
PubChem CID106586999
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCOCC1CCCN(C(=O)C2CNc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O2/c1-21-12-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)18-10-15/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3
InChIKeyMDQJBEYKTLSCII-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356430
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901792
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
CID 106901528
(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 66369499
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106703940
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 102933003
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (CID 106586999) is [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is COCC1CCCN(C(=O)C2CNc3ccccc3C2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The InChIKey is MDQJBEYKTLSCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-12-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)18-10-15/h2-3,6-7,13,15,18H,4-5,8-12H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 106586999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).