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

C14H21N3O2 — CID 81458525

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cccnc2OC)CCC1N
InChIInChI=1S/C14H21N3O2/c1-3-10-9-17(8-6-12(10)15)14(18)11-5-4-7-16-13(11)19-2/h4-5,7,10,12H,3,6,8-9,15H2,1-2H3
InChIKeyIJDPEZUAOZFBOP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds3

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

(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 81458525) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID81458525
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2cccnc2OC)CCC1N
InChIInChI=1S/C14H21N3O2/c1-3-10-9-17(8-6-12(10)15)14(18)11-5-4-7-16-13(11)19-2/h4-5,7,10,12H,3,6,8-9,15H2,1-2H3
InChIKeyIJDPEZUAOZFBOP-UHFFFAOYSA-N
XLogP1.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone (CID 81458525) is (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone is CCC1CN(C(=O)c2cccnc2OC)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is IJDPEZUAOZFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-10-9-17(8-6-12(10)15)14(18)11-5-4-7-16-13(11)19-2/h4-5,7,10,12H,3,6,8-9,15H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 81458525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).