(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C14H21N3O2 — CID 105064068

IUPAC(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1OC
InChIInChI=1S/C14H21N3O2/c1-15-9-11-5-3-4-8-17(11)14(18)12-6-7-16-10-13(12)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyQHFPHWKZZRABNW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds4

About (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 105064068) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID105064068
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1OC
InChIInChI=1S/C14H21N3O2/c1-15-9-11-5-3-4-8-17(11)14(18)12-6-7-16-10-13(12)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyQHFPHWKZZRABNW-UHFFFAOYSA-N
XLogP1.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[(2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 67090176
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 102787927
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 105064068) is (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1ccncc1OC.
What is the InChIKey of (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is QHFPHWKZZRABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-9-11-5-3-4-8-17(11)14(18)12-6-7-16-10-13(12)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3.
What are the key properties of (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 105064068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).