N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

C23H31N3O4S — CID 22549884

IUPACN-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C23H31N3O4S/c27-22-11-8-18-16-20(9-10-21(18)25-22)31(29,30)26-14-12-17(13-15-26)23(28)24-19-6-4-2-1-3-5-7-19/h8-11,16-17,19H,1-7,12-15H2,(H,24,28)(H,25,27)
InChIKeyIWTAHJLBFZPMLQ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.16
Rot. Bonds4

About N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 22549884) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID22549884
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C23H31N3O4S/c27-22-11-8-18-16-20(9-10-21(18)25-22)31(29,30)26-14-12-17(13-15-26)23(28)24-19-6-4-2-1-3-5-7-19/h8-11,16-17,19H,1-7,12-15H2,(H,24,28)(H,25,27)
InChIKeyIWTAHJLBFZPMLQ-UHFFFAOYSA-N
XLogP3.16
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22583495
1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22549897
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
N-[(4-methylphenyl)methyl]-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903565
N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 22549884) is N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is IWTAHJLBFZPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c27-22-11-8-18-16-20(9-10-21(18)25-22)31(29,30)26-14-12-17(13-15-26)23(28)24-19-6-4-2-1-3-5-7-19/h8-11,16-17,19H,1-7,12-15H2,(H,24,28)(H,25,27).
What are the key properties of N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 22549884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).