1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide

C22H32ClN3O4S — CID 171676207

IUPAC1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C(=O)NC3CC(O)C3)CC2)CC1
InChIInChI=1S/C22H32ClN3O4S/c1-15-3-2-4-20(23)21(15)31(29,30)26-11-7-18(8-12-26)25-9-5-16(6-10-25)22(28)24-17-13-19(27)14-17/h2-4,16-19,27H,5-14H2,1H3,(H,24,28)
InChIKeyHTDUXGSJHHPJPF-UHFFFAOYSA-N
MW470.04 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide

1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide (PubChem CID 171676207) has the molecular formula C22H32ClN3O4S and a molecular weight of 470.04 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide
PubChem CID171676207
Molecular FormulaC22H32ClN3O4S
Molecular Weight470.04 g/mol
Exact Mass469.18
IUPAC Name1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C(=O)NC3CC(O)C3)CC2)CC1
InChIInChI=1S/C22H32ClN3O4S/c1-15-3-2-4-20(23)21(15)31(29,30)26-11-7-18(8-12-26)25-9-5-16(6-10-25)22(28)24-17-13-19(27)14-17/h2-4,16-19,27H,5-14H2,1H3,(H,24,28)
InChIKeyHTDUXGSJHHPJPF-UHFFFAOYSA-N
XLogP2.15
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.04
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26131040
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26909871
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 98701102
N-(2,3-dimethylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935092
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide (CID 171676207) is 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide is Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C(=O)NC3CC(O)C3)CC2)CC1.
What is the InChIKey of 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide?
The InChIKey is HTDUXGSJHHPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O4S/c1-15-3-2-4-20(23)21(15)31(29,30)26-11-7-18(8-12-26)25-9-5-16(6-10-25)22(28)24-17-13-19(27)14-17/h2-4,16-19,27H,5-14H2,1H3,(H,24,28).
What are the key properties of 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide?
1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide has a molecular weight of 470.04 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-hydroxycyclobutyl)piperidine-4-carboxamide is sourced from PubChem (CID 171676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).