1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

C24H35N5O3S — CID 92871168

IUPAC1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)ccc21
InChIInChI=1S/C24H35N5O3S/c1-3-18(2)29-23-10-9-21(17-22(23)26-27-29)33(31,32)28-15-12-20(13-16-28)24(30)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,20H,3-6,8,11-16H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyYKIXNGKOHRPDCA-GOSISDBHSA-N
MW473.64 g/mol
LogP3.81
Rot. Bonds8

About 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 92871168) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID92871168
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)ccc21
InChIInChI=1S/C24H35N5O3S/c1-3-18(2)29-23-10-9-21(17-22(23)26-27-29)33(31,32)28-15-12-20(13-16-28)24(30)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,20H,3-6,8,11-16H2,1-2H3,(H,25,30)/t18-/m1/s1
InChIKeyYKIXNGKOHRPDCA-GOSISDBHSA-N
XLogP3.81
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 20934046
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-[(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-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 46330119
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-3-carboxamide
CID 92890179
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-3-carboxamide
CID 92890180
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-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46330109
1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182086

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (CID 92871168) is 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)ccc21.
What is the InChIKey of 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is YKIXNGKOHRPDCA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-3-18(2)29-23-10-9-21(17-22(23)26-27-29)33(31,32)28-15-12-20(13-16-28)24(30)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,20H,3-6,8,11-16H2,1-2H3,(H,25,30)/t18-/m1/s1.
What are the key properties of 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92871168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).