(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone

C16H25N3O2 — CID 102964734

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(C)C(O)C2)cc(C)n1
InChIInChI=1S/C16H25N3O2/c1-4-6-17-15-9-13(8-12(3)18-15)16(21)19-7-5-11(2)14(20)10-19/h8-9,11,14,20H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyLOKDGDHNOBQYAD-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.05
Rot. Bonds4

About (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone

(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone (PubChem CID 102964734) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
PubChem CID102964734
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(C)C(O)C2)cc(C)n1
InChIInChI=1S/C16H25N3O2/c1-4-6-17-15-9-13(8-12(3)18-15)16(21)19-7-5-11(2)14(20)10-19/h8-9,11,14,20H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyLOKDGDHNOBQYAD-UHFFFAOYSA-N
XLogP2.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681717
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 102964764
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone
CID 106673820
(2-amino-6-ethyl-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964772
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799971
[2-(ethylamino)-4-methylphenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964719

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone (CID 102964734) is (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone is CCCNc1cc(C(=O)N2CCC(C)C(O)C2)cc(C)n1.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone?
The InChIKey is LOKDGDHNOBQYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-6-17-15-9-13(8-12(3)18-15)16(21)19-7-5-11(2)14(20)10-19/h8-9,11,14,20H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 102964734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).