1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone

C13H19N3O — CID 102539767

IUPAC1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCNc1ncccc1C1CCCCN1C(C)=O
InChIInChI=1S/C13H19N3O/c1-10(17)16-9-4-3-7-12(16)11-6-5-8-15-13(11)14-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyHMWSAJONKGMWPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone

1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 102539767) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID102539767
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCNc1ncccc1C1CCCCN1C(C)=O
InChIInChI=1S/C13H19N3O/c1-10(17)16-9-4-3-7-12(16)11-6-5-8-15-13(11)14-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyHMWSAJONKGMWPV-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone (CID 102539767) is 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone is CNc1ncccc1C1CCCCN1C(C)=O.
What is the InChIKey of 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is HMWSAJONKGMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(17)16-9-4-3-7-12(16)11-6-5-8-15-13(11)14-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 102539767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).