1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one

C15H23N3O — CID 109014316

IUPAC1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
SMILESCC1CCN(C(=O)CCNCc2ccccn2)CC1
InChIInChI=1S/C15H23N3O/c1-13-6-10-18(11-7-13)15(19)5-9-16-12-14-4-2-3-8-17-14/h2-4,8,13,16H,5-7,9-12H2,1H3
InChIKeyZIEDJIQQMXKQNV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one

1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one (PubChem CID 109014316) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
PubChem CID109014316
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
SMILESCC1CCN(C(=O)CCNCc2ccccn2)CC1
InChIInChI=1S/C15H23N3O/c1-13-6-10-18(11-7-13)15(19)5-9-16-12-14-4-2-3-8-17-14/h2-4,8,13,16H,5-7,9-12H2,1H3
InChIKeyZIEDJIQQMXKQNV-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023313
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid
CID 18654098
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
CID 3485288
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one (CID 109014316) is 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one is CC1CCN(C(=O)CCNCc2ccccn2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The InChIKey is ZIEDJIQQMXKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-6-10-18(11-7-13)15(19)5-9-16-12-14-4-2-3-8-17-14/h2-4,8,13,16H,5-7,9-12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 109014316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).