piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone

C25H34N4O3S — CID 50769435

IUPACpiperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1)N1CCCCC1
InChIInChI=1S/C25H34N4O3S/c30-25(27-13-3-1-4-14-27)21-8-7-15-28(19-21)24-12-9-20-18-22(10-11-23(20)26-24)33(31,32)29-16-5-2-6-17-29/h9-12,18,21H,1-8,13-17,19H2
InChIKeyPUYFNVYLKKGVIU-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.64
Rot. Bonds4

About piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone

piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone (PubChem CID 50769435) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
PubChem CID50769435
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Namepiperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1)N1CCCCC1
InChIInChI=1S/C25H34N4O3S/c30-25(27-13-3-1-4-14-27)21-8-7-15-28(19-21)24-12-9-20-18-22(10-11-23(20)26-24)33(31,32)29-16-5-2-6-17-29/h9-12,18,21H,1-8,13-17,19H2
InChIKeyPUYFNVYLKKGVIU-UHFFFAOYSA-N
XLogP3.64
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893334
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353
(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893329
(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

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone (CID 50769435) is piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone?
The InChIKey is PUYFNVYLKKGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c30-25(27-13-3-1-4-14-27)21-8-7-15-28(19-21)24-12-9-20-18-22(10-11-23(20)26-24)33(31,32)29-16-5-2-6-17-29/h9-12,18,21H,1-8,13-17,19H2.
What are the key properties of piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone?
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone has a molecular weight of 470.64 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 50769435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).