2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone

C12H17N3O — CID 116547813

IUPAC2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
SMILESNc1cc(CC(=O)C2CCCCN2)ccn1
InChIInChI=1S/C12H17N3O/c13-12-8-9(4-6-15-12)7-11(16)10-3-1-2-5-14-10/h4,6,8,10,14H,1-3,5,7H2,(H2,13,15)
InChIKeyGLSKBVRTZOLPDR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.92
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone

2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone (PubChem CID 116547813) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
PubChem CID116547813
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
SMILESNc1cc(CC(=O)C2CCCCN2)ccn1
InChIInChI=1S/C12H17N3O/c13-12-8-9(4-6-15-12)7-11(16)10-3-1-2-5-14-10/h4,6,8,10,14H,1-3,5,7H2,(H2,13,15)
InChIKeyGLSKBVRTZOLPDR-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547431
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone
CID 79971866
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone (CID 116547813) is 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone is Nc1cc(CC(=O)C2CCCCN2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone?
The InChIKey is GLSKBVRTZOLPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12-8-9(4-6-15-12)7-11(16)10-3-1-2-5-14-10/h4,6,8,10,14H,1-3,5,7H2,(H2,13,15).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone?
2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).