3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

C15H23N3O — CID 102881036

IUPAC3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cncc(CNCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-13-9-14(12-17-10-13)11-16-6-5-15(19)18-7-3-2-4-8-18/h9-10,12,16H,2-8,11H2,1H3
InChIKeyIRFLLRCCIYQUDO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds5

About 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 102881036) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID102881036
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cncc(CNCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-13-9-14(12-17-10-13)11-16-6-5-15(19)18-7-3-2-4-8-18/h9-10,12,16H,2-8,11H2,1H3
InChIKeyIRFLLRCCIYQUDO-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
CID 103263206
4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide
CID 86803037
1,5-dimethyl-4-[[(3-oxo-3-piperidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584427
methyl 4-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoate
CID 28654560
3-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 103263214
1-(azepan-1-yl)-3-(1,3-benzodioxol-5-ylmethylamino)propan-1-one
CID 109022764
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113225005
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 102881036) is 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is Cc1cncc(CNCCC(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is IRFLLRCCIYQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-9-14(12-17-10-13)11-16-6-5-15(19)18-7-3-2-4-8-18/h9-10,12,16H,2-8,11H2,1H3.
What are the key properties of 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 102881036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).