1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide

C23H30N4O4S — CID 24601879

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)cc1
InChIInChI=1S/C23H30N4O4S/c1-31-20-8-10-21(11-9-20)32(29,30)27-15-5-6-18(17-27)23(28)25-19-7-12-22(24-16-19)26-13-3-2-4-14-26/h7-12,16,18H,2-6,13-15,17H2,1H3,(H,25,28)
InChIKeyBUFRCHJYFIYKSC-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 24601879) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID24601879
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)cc1
InChIInChI=1S/C23H30N4O4S/c1-31-20-8-10-21(11-9-20)32(29,30)27-15-5-6-18(17-27)23(28)25-19-7-12-22(24-16-19)26-13-3-2-4-14-26/h7-12,16,18H,2-6,13-15,17H2,1H3,(H,25,28)
InChIKeyBUFRCHJYFIYKSC-UHFFFAOYSA-N
XLogP3.12
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1456755
(3R)-N-(1,2-benzothiazol-5-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800625
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 24601879) is 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BUFRCHJYFIYKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-31-20-8-10-21(11-9-20)32(29,30)27-15-5-6-18(17-27)23(28)25-19-7-12-22(24-16-19)26-13-3-2-4-14-26/h7-12,16,18H,2-6,13-15,17H2,1H3,(H,25,28).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 24601879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).