(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

C27H38N4O3S — CID 92888286

IUPAC(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C27H38N4O3S/c32-27(28-23-10-4-2-1-3-5-11-23)22-9-8-16-30(20-22)26-15-12-21-19-24(13-14-25(21)29-26)35(33,34)31-17-6-7-18-31/h12-15,19,22-23H,1-11,16-18,20H2,(H,28,32)/t22-/m1/s1
InChIKeyAZLYWYAVXSOAID-JOCHJYFZSA-N
MW498.69 g/mol
LogP4.46
Rot. Bonds5

About (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 92888286) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID92888286
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C27H38N4O3S/c32-27(28-23-10-4-2-1-3-5-11-23)22-9-8-16-30(20-22)26-15-12-21-19-24(13-14-25(21)29-26)35(33,34)31-17-6-7-18-31/h12-15,19,22-23H,1-11,16-18,20H2,(H,28,32)/t22-/m1/s1
InChIKeyAZLYWYAVXSOAID-JOCHJYFZSA-N
XLogP4.46
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893334
(3S)-N-(pyridin-2-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888283
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
(3S)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888309
(3R)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888308
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (CID 92888286) is (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1.
What is the InChIKey of (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is AZLYWYAVXSOAID-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H38N4O3S/c32-27(28-23-10-4-2-1-3-5-11-23)22-9-8-16-30(20-22)26-15-12-21-19-24(13-14-25(21)29-26)35(33,34)31-17-6-7-18-31/h12-15,19,22-23H,1-11,16-18,20H2,(H,28,32)/t22-/m1/s1.
What are the key properties of (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 498.69 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92888286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).