(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone

C14H21N3O — CID 81458199

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cncc(C)c2)CCC1N
InChIInChI=1S/C14H21N3O/c1-3-11-9-17(5-4-13(11)15)14(18)12-6-10(2)7-16-8-12/h6-8,11,13H,3-5,9,15H2,1-2H3
InChIKeyYXYOGDVMXIISJG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.59
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 81458199) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID81458199
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cncc(C)c2)CCC1N
InChIInChI=1S/C14H21N3O/c1-3-11-9-17(5-4-13(11)15)14(18)12-6-10(2)7-16-8-12/h6-8,11,13H,3-5,9,15H2,1-2H3
InChIKeyYXYOGDVMXIISJG-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

[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 127738758
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
[(3R,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124794762
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
4-(4-amino-3-ethylpiperidine-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 81457773
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 162812465
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 50964391

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone (CID 81458199) is (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone is CCC1CN(C(=O)c2cncc(C)c2)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is YXYOGDVMXIISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-9-17(5-4-13(11)15)14(18)12-6-10(2)7-16-8-12/h6-8,11,13H,3-5,9,15H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-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)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 81458199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).