2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

C15H23N3O — CID 62997460

IUPAC2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(CNC(C)C(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-12-6-7-14(10-16-12)11-17-13(2)15(19)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyDYJFLRWZCWNDAC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds4

About 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 62997460) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID62997460
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(CNC(C)C(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-12-6-7-14(10-16-12)11-17-13(2)15(19)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyDYJFLRWZCWNDAC-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amrinone
CID 3698
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CID 447221
Tagorizine
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UR-12460
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Lsn2463359
CID 72551298
Kdoam-25
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N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
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Piperazine, 2-pyridylethyl-
CID 566605
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 62997460) is 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is Cc1ccc(CNC(C)C(=O)N2CCCCC2)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DYJFLRWZCWNDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-7-14(10-16-12)11-17-13(2)15(19)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 62997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).