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

C15H23N3O — CID 62172000

IUPAC(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCCCC1C
InChIInChI=1S/C15H23N3O/c1-3-9-16-14-13(8-6-10-17-14)15(19)18-11-5-4-7-12(18)2/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,16,17)
InChIKeyPYRDDEOHSQFWLA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds4

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

(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone (PubChem CID 62172000) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
PubChem CID62172000
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCCCC1C
InChIInChI=1S/C15H23N3O/c1-3-9-16-14-13(8-6-10-17-14)15(19)18-11-5-4-7-12(18)2/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,16,17)
InChIKeyPYRDDEOHSQFWLA-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
CID 63602847
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(2-cyclopentylpyrrolidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181418
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
CID 63978079
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 66062042

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone (CID 62172000) is (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncccc1C(=O)N1CCCCC1C.
What is the InChIKey of (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is PYRDDEOHSQFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-9-16-14-13(8-6-10-17-14)15(19)18-11-5-4-7-12(18)2/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,16,17).
What are the key properties of (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone?
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62172000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).