1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one

C16H20N2O — CID 166143798

IUPAC1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one
SMILESCCC#CC(=O)N1CCCC(c2cccc(C)n2)C1
InChIInChI=1S/C16H20N2O/c1-3-4-10-16(19)18-11-6-8-14(12-18)15-9-5-7-13(2)17-15/h5,7,9,14H,3,6,8,11-12H2,1-2H3
InChIKeyIFJXKJJYJWYQEF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.51
Rot. Bonds1

About 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one

1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one (PubChem CID 166143798) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one.

Molecular Properties

Compound Name1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one
PubChem CID166143798
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one
SMILESCCC#CC(=O)N1CCCC(c2cccc(C)n2)C1
InChIInChI=1S/C16H20N2O/c1-3-4-10-16(19)18-11-6-8-14(12-18)15-9-5-7-13(2)17-15/h5,7,9,14H,3,6,8,11-12H2,1-2H3
InChIKeyIFJXKJJYJWYQEF-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
1-[3-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-1-yl]pent-2-yn-1-one
CID 166143881
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
3-chloro-1-[3-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 175661425
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one?
The IUPAC name of 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one (CID 166143798) is 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one.
What is the SMILES notation for 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one?
The canonical SMILES for 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one is CCC#CC(=O)N1CCCC(c2cccc(C)n2)C1.
What is the InChIKey of 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one?
The InChIKey is IFJXKJJYJWYQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-4-10-16(19)18-11-6-8-14(12-18)15-9-5-7-13(2)17-15/h5,7,9,14H,3,6,8,11-12H2,1-2H3.
What are the key properties of 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one?
1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one is sourced from PubChem (CID 166143798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).