N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H28N4O3S — CID 5308293

IUPACN-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H28N4O3S/c22-17(20-15-8-4-2-1-3-5-9-15)14-7-6-10-21(12-14)25(23,24)16-11-18-13-19-16/h11,13-15H,1-10,12H2,(H,18,19)(H,20,22)
InChIKeyKZZFMLSTOOYMMN-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.04
Rot. Bonds4

About N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5308293) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5308293
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H28N4O3S/c22-17(20-15-8-4-2-1-3-5-9-15)14-7-6-10-21(12-14)25(23,24)16-11-18-13-19-16/h11,13-15H,1-10,12H2,(H,18,19)(H,20,22)
InChIKeyKZZFMLSTOOYMMN-UHFFFAOYSA-N
XLogP2.04
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5308293) is N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NC1CCCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is KZZFMLSTOOYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c22-17(20-15-8-4-2-1-3-5-9-15)14-7-6-10-21(12-14)25(23,24)16-11-18-13-19-16/h11,13-15H,1-10,12H2,(H,18,19)(H,20,22).
What are the key properties of N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).