N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide

C17H23N5O4S — CID 7714347

IUPACN-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CC4)c3c2)C1
InChIInChI=1S/C17H23N5O4S/c1-12-3-2-8-21(10-12)27(24,25)14-6-7-15-16(9-14)22(20-19-15)26-11-17(23)18-13-4-5-13/h6-7,9,12-13H,2-5,8,10-11H2,1H3,(H,18,23)/t12-/m0/s1
InChIKeyCCMNNHVLYWHUGO-LBPRGKRZSA-N
MW393.47 g/mol
LogP0.56
Rot. Bonds6

About N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide

N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide (PubChem CID 7714347) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
PubChem CID7714347
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CC4)c3c2)C1
InChIInChI=1S/C17H23N5O4S/c1-12-3-2-8-21(10-12)27(24,25)14-6-7-15-16(9-14)22(20-19-15)26-11-17(23)18-13-4-5-13/h6-7,9,12-13H,2-5,8,10-11H2,1H3,(H,18,23)/t12-/m0/s1
InChIKeyCCMNNHVLYWHUGO-LBPRGKRZSA-N
XLogP0.56
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-[6-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714359
2-[6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-propan-2-ylacetamide
CID 7714314
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
3-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56578621
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide
CID 24533977
methyl 3-[2-(cyclopropylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706021
4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole
CID 42989198
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 97465851
1-[(4-bromophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788487
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-methylphenyl)methoxy]benzotriazole
CID 7714335

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide (CID 7714347) is N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide is C[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CC4)c3c2)C1.
What is the InChIKey of N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The InChIKey is CCMNNHVLYWHUGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-12-3-2-8-21(10-12)27(24,25)14-6-7-15-16(9-14)22(20-19-15)26-11-17(23)18-13-4-5-13/h6-7,9,12-13H,2-5,8,10-11H2,1H3,(H,18,23)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide has a molecular weight of 393.47 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7714347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).