1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C24H35N3O5S — CID 3242233

IUPAC1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1
InChIInChI=1S/C24H35N3O5S/c1-18-4-6-22(7-5-18)33(30,31)27-14-10-20(11-15-27)24(29)26-12-8-19(9-13-26)23(28)25-17-21-3-2-16-32-21/h4-7,19-21H,2-3,8-17H2,1H3,(H,25,28)
InChIKeyHEXJEWVECYZFRD-UHFFFAOYSA-N
MW477.63 g/mol
LogP1.93
Rot. Bonds6

About 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3242233) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3242233
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1
InChIInChI=1S/C24H35N3O5S/c1-18-4-6-22(7-5-18)33(30,31)27-14-10-20(11-15-27)24(29)26-12-8-19(9-13-26)23(28)25-17-21-3-2-16-32-21/h4-7,19-21H,2-3,8-17H2,1H3,(H,25,28)
InChIKeyHEXJEWVECYZFRD-UHFFFAOYSA-N
XLogP1.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
1-(benzylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 651955
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
1-[(4-methylphenyl)sulfonyl]-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 3156693
1-(3-Trifluoromethyl-benzenesulfonyl)-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3230729
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(3-morpholin-4-ylpropyl)cyclohexanecarboxamide
CID 3244467
4-methyl-N-{[4-(morpholin-4-ylcarbonyl)cyclohexyl]methyl}benzenesulfonamide
CID 4156772

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 3242233) is 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HEXJEWVECYZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-18-4-6-22(7-5-18)33(30,31)27-14-10-20(11-15-27)24(29)26-12-8-19(9-13-26)23(28)25-17-21-3-2-16-32-21/h4-7,19-21H,2-3,8-17H2,1H3,(H,25,28).
What are the key properties of 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).