1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide

C18H27N3O3S — CID 119426293

IUPAC1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCNC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-15(9-12-21)18(22)20-16-3-2-10-19-13-16/h4-7,15-16,19H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyBJTKQMKLXALVMX-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.26
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide (PubChem CID 119426293) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
PubChem CID119426293
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCNC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-15(9-12-21)18(22)20-16-3-2-10-19-13-16/h4-7,15-16,19H,2-3,8-13H2,1H3,(H,20,22)
InChIKeyBJTKQMKLXALVMX-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119450125
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119535384
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119451054
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451053
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119452143
1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120554823
1-(4-nitrophenyl)sulfonyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119424562
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide (CID 119426293) is 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCNC3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide?
The InChIKey is BJTKQMKLXALVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-4-6-17(7-5-14)25(23,24)21-11-8-15(9-12-21)18(22)20-16-3-2-10-19-13-16/h4-7,15-16,19H,2-3,8-13H2,1H3,(H,20,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 119426293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).