1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

C21H32N4O3S — CID 71146764

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCC4CC5CC4CC3C5)CC2)c1
InChIInChI=1S/C21H32N4O3S/c1-24-12-20(22-13-24)29(27,28)25-6-4-15(5-7-25)21(26)23-19-3-2-16-8-14-9-17(16)11-18(19)10-14/h12-19H,2-11H2,1H3,(H,23,26)
InChIKeyYVYRRTUIXKIOOV-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.15
Rot. Bonds4

About 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (PubChem CID 71146764) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
PubChem CID71146764
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCC4CC5CC4CC3C5)CC2)c1
InChIInChI=1S/C21H32N4O3S/c1-24-12-20(22-13-24)29(27,28)25-6-4-15(5-7-25)21(26)23-19-3-2-16-8-14-9-17(16)11-18(19)10-14/h12-19H,2-11H2,1H3,(H,23,26)
InChIKeyYVYRRTUIXKIOOV-UHFFFAOYSA-N
XLogP2.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085415
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146754
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085413
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
CID 154002650
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (CID 71146764) is 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCC4CC5CC4CC3C5)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The InChIKey is YVYRRTUIXKIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-24-12-20(22-13-24)29(27,28)25-6-4-15(5-7-25)21(26)23-19-3-2-16-8-14-9-17(16)11-18(19)10-14/h12-19H,2-11H2,1H3,(H,23,26).
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is sourced from PubChem (CID 71146764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).