(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone

C17H25N3O — CID 84576155

IUPAC(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cccnc2N2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-14-7-6-12-20(13-14)17(21)15-8-5-9-18-16(15)19-10-3-2-4-11-19/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyWMDJAZGOVBHEDW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone

(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 84576155) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID84576155
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cccnc2N2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-14-7-6-12-20(13-14)17(21)15-8-5-9-18-16(15)19-10-3-2-4-11-19/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyWMDJAZGOVBHEDW-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone (CID 84576155) is (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone is CC1CCCN(C(=O)c2cccnc2N2CCCCC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is WMDJAZGOVBHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-7-6-12-20(13-14)17(21)15-8-5-9-18-16(15)19-10-3-2-4-11-19/h5,8-9,14H,2-4,6-7,10-13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 84576155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).