1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide

C24H31N5O3S — CID 20934046

IUPAC1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCCC(C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)ccc21
InChIInChI=1S/C24H31N5O3S/c1-5-18(4)29-23-9-8-21(15-22(23)26-27-29)33(31,32)28-12-10-19(11-13-28)24(30)25-20-7-6-16(2)17(3)14-20/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,25,30)
InChIKeyGZTOHZJBDVOONE-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.06
Rot. Bonds6

About 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide

1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 20934046) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
PubChem CID20934046
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCCC(C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)ccc21
InChIInChI=1S/C24H31N5O3S/c1-5-18(4)29-23-9-8-21(15-22(23)26-27-29)33(31,32)28-12-10-19(11-13-28)24(30)25-20-7-6-16(2)17(3)14-20/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,25,30)
InChIKeyGZTOHZJBDVOONE-UHFFFAOYSA-N
XLogP4.06
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 92871167
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 92871166
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46330137
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 92871144
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 46330119
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46330109
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 46330111
1-[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 92871177
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 92871168
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330151
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (CID 20934046) is 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide is CCC(C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)ccc21.
What is the InChIKey of 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is GZTOHZJBDVOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-5-18(4)29-23-9-8-21(15-22(23)26-27-29)33(31,32)28-12-10-19(11-13-28)24(30)25-20-7-6-16(2)17(3)14-20/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,25,30).
What are the key properties of 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20934046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).