2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone

C17H23N5O — CID 96579253

IUPAC2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C1CN(C(=O)Cn2nc3ccccc3n2)C1
InChIInChI=1S/C17H23N5O/c1-13-6-4-5-9-21(13)14-10-20(11-14)17(23)12-22-18-15-7-2-3-8-16(15)19-22/h2-3,7-8,13-14H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyFZZLEQKZQSNJHL-ZDUSSCGKSA-N
MW313.40 g/mol
LogP1.52
Rot. Bonds3

About 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone

2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone (PubChem CID 96579253) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
PubChem CID96579253
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C1CN(C(=O)Cn2nc3ccccc3n2)C1
InChIInChI=1S/C17H23N5O/c1-13-6-4-5-9-21(13)14-10-20(11-14)17(23)12-22-18-15-7-2-3-8-16(15)19-22/h2-3,7-8,13-14H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyFZZLEQKZQSNJHL-ZDUSSCGKSA-N
XLogP1.52
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-1-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 131947868
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 126423909
2-(benzotriazol-2-yl)-1-(6-hydroxy-4-methyl-1,4-diazepan-1-yl)ethanone
CID 74250068
3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
CID 122562542
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(benzotriazol-2-yl)ethanone
CID 122562594
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97155188

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone (CID 96579253) is 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone is C[C@H]1CCCCN1C1CN(C(=O)Cn2nc3ccccc3n2)C1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone?
The InChIKey is FZZLEQKZQSNJHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-4-5-9-21(13)14-10-20(11-14)17(23)12-22-18-15-7-2-3-8-16(15)19-22/h2-3,7-8,13-14H,4-6,9-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone?
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 1.52, 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-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 96579253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).