(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone

C14H21N3O — CID 81458540

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)n2)CCC1N
InChIInChI=1S/C14H21N3O/c1-3-11-9-17(8-7-12(11)15)14(18)13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9,15H2,1-2H3
InChIKeyQGUOPAGOOGICAV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.59
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 81458540) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
PubChem CID81458540
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cccc(C)n2)CCC1N
InChIInChI=1S/C14H21N3O/c1-3-11-9-17(8-7-12(11)15)14(18)13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9,15H2,1-2H3
InChIKeyQGUOPAGOOGICAV-UHFFFAOYSA-N
XLogP1.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone (CID 81458540) is (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone is CCC1CN(C(=O)c2cccc(C)n2)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is QGUOPAGOOGICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-9-17(8-7-12(11)15)14(18)13-6-4-5-10(2)16-13/h4-6,11-12H,3,7-9,15H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 81458540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).