[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone

C18H21N3O — CID 102542837

IUPAC[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
SMILESCc1nc(N)ccc1C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-13-15(10-11-17(19)20-13)16-9-5-6-12-21(16)18(22)14-7-3-2-4-8-14/h2-4,7-8,10-11,16H,5-6,9,12H2,1H3,(H2,19,20)
InChIKeyXOBMYCNMHYFXAI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.34
Rot. Bonds2

About [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone

[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone (PubChem CID 102542837) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
PubChem CID102542837
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
SMILESCc1nc(N)ccc1C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-13-15(10-11-17(19)20-13)16-9-5-6-12-21(16)18(22)14-7-3-2-4-8-14/h2-4,7-8,10-11,16H,5-6,9,12H2,1H3,(H2,19,20)
InChIKeyXOBMYCNMHYFXAI-UHFFFAOYSA-N
XLogP3.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(6-methoxy-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542591
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
[3-(6-amino-2-methyl-3-pyridinyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 126431094
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone (CID 102542837) is [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone is Cc1nc(N)ccc1C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is XOBMYCNMHYFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-15(10-11-17(19)20-13)16-9-5-6-12-21(16)18(22)14-7-3-2-4-8-14/h2-4,7-8,10-11,16H,5-6,9,12H2,1H3,(H2,19,20).
What are the key properties of [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102542837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).