(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone

C14H21N3O — CID 62930528

IUPAC(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)13(18)12-10-11(15-3)4-7-16-12/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,16)
InChIKeyPEDAXMDKWCGTDZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds2

About (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone

(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 62930528) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID62930528
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)13(18)12-10-11(15-3)4-7-16-12/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,16)
InChIKeyPEDAXMDKWCGTDZ-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(2,2-dimethylmorpholin-4-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62170441
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(4-tert-butylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62237509
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
N-methyl-4-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 55042558

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone (CID 62930528) is (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2CCC(C)(C)CC2)c1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is PEDAXMDKWCGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)13(18)12-10-11(15-3)4-7-16-12/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,16).
What are the key properties of (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone?
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).