(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone

C15H23N3O — CID 62172051

IUPAC(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H23N3O/c1-3-8-16-14-13(7-4-9-17-14)15(19)18-10-5-6-12(2)11-18/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyVCNMZSGPXFOUMK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone (PubChem CID 62172051) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
PubChem CID62172051
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H23N3O/c1-3-8-16-14-13(7-4-9-17-14)15(19)18-10-5-6-12(2)11-18/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyVCNMZSGPXFOUMK-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
CID 63978079
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 62171689
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 66062042
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone (CID 62172051) is (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncccc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is VCNMZSGPXFOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-16-14-13(7-4-9-17-14)15(19)18-10-5-6-12(2)11-18/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62172051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).