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

C18H26N2O — CID 43584722

IUPAC(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCC1CCCN(C(=O)C2CC(C)Nc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyNUSCEPFLQHGDPG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.62
Rot. Bonds2

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

(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 43584722) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID43584722
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCC1CCCN(C(=O)C2CC(C)Nc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyNUSCEPFLQHGDPG-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 24707939
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 104967543
1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one
CID 64695499
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 61222722
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 43584722) is (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CCC1CCCN(C(=O)C2CC(C)Nc3ccccc32)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is NUSCEPFLQHGDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 43584722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).