2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone

C18H19N5O — CID 77091255

IUPAC2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCCCC1c1ccccn1
InChIInChI=1S/C18H19N5O/c24-18(13-23-20-14-7-1-2-8-15(14)21-23)22-12-6-4-10-17(22)16-9-3-5-11-19-16/h1-3,5,7-9,11,17H,4,6,10,12-13H2
InChIKeyKGCMCHYHEHYDIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.58
Rot. Bonds3

About 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone

2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 77091255) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID77091255
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCCCC1c1ccccn1
InChIInChI=1S/C18H19N5O/c24-18(13-23-20-14-7-1-2-8-15(14)21-23)22-12-6-4-10-17(22)16-9-3-5-11-19-16/h1-3,5,7-9,11,17H,4,6,10,12-13H2
InChIKeyKGCMCHYHEHYDIV-UHFFFAOYSA-N
XLogP2.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956601
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 72861855
2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124982957

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone (CID 77091255) is 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone is O=C(Cn1nc2ccccc2n1)N1CCCCC1c1ccccn1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is KGCMCHYHEHYDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(13-23-20-14-7-1-2-8-15(14)21-23)22-12-6-4-10-17(22)16-9-3-5-11-19-16/h1-3,5,7-9,11,17H,4,6,10,12-13H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 77091255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).