(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

C17H24N2O — CID 62213479

IUPAC(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H24N2O/c1-2-14-9-3-4-12-19(14)17(20)15-10-5-7-13-8-6-11-18-16(13)15/h5,7,10,14,18H,2-4,6,8-9,11-12H2,1H3
InChIKeyJCXPPJDXXQZLPK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.45
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (PubChem CID 62213479) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
PubChem CID62213479
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H24N2O/c1-2-14-9-3-4-12-19(14)17(20)15-10-5-7-13-8-6-11-18-16(13)15/h5,7,10,14,18H,2-4,6,8-9,11-12H2,1H3
InChIKeyJCXPPJDXXQZLPK-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104689965
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 104690100
[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 106836042
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62214013
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (CID 62213479) is (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is CCC1CCCCN1C(=O)c1cccc2c1NCCC2.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The InChIKey is JCXPPJDXXQZLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-14-9-3-4-12-19(14)17(20)15-10-5-7-13-8-6-11-18-16(13)15/h5,7,10,14,18H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 62213479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).