N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C19H32N4O3S — CID 46332114

IUPACN-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cn1C
InChIInChI=1S/C19H32N4O3S/c1-15-20-18(14-22(15)2)27(25,26)23-12-10-16(11-13-23)19(24)21-17-8-6-4-3-5-7-9-17/h14,16-17H,3-13H2,1-2H3,(H,21,24)
InChIKeyPUTOFGODZBLAPH-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.36
Rot. Bonds4

About N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 46332114) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID46332114
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cn1C
InChIInChI=1S/C19H32N4O3S/c1-15-20-18(14-22(15)2)27(25,26)23-12-10-16(11-13-23)19(24)21-17-8-6-4-3-5-7-9-17/h14,16-17H,3-13H2,1-2H3,(H,21,24)
InChIKeyPUTOFGODZBLAPH-UHFFFAOYSA-N
XLogP2.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 46332114) is N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cn1C.
What is the InChIKey of N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PUTOFGODZBLAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-15-20-18(14-22(15)2)27(25,26)23-12-10-16(11-13-23)19(24)21-17-8-6-4-3-5-7-9-17/h14,16-17H,3-13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46332114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).