1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C24H36N4O5S — CID 23605249

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)CC(C)O1
InChIInChI=1S/C24H36N4O5S/c1-18-16-28(17-19(2)33-18)34(31,32)21-8-6-20(7-9-21)22(29)26-14-10-24(11-15-26,23(25)30)27-12-4-3-5-13-27/h6-9,18-19H,3-5,10-17H2,1-2H3,(H2,25,30)
InChIKeyMCXDNMMJCXTXKX-UHFFFAOYSA-N
MW492.64 g/mol
LogP1.43
Rot. Bonds5

About 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 23605249) has the molecular formula C24H36N4O5S and a molecular weight of 492.64 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID23605249
Molecular FormulaC24H36N4O5S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)CC(C)O1
InChIInChI=1S/C24H36N4O5S/c1-18-16-28(17-19(2)33-18)34(31,32)21-8-6-20(7-9-21)22(29)26-14-10-24(11-15-26,23(25)30)27-12-4-3-5-13-27/h6-9,18-19H,3-5,10-17H2,1-2H3,(H2,25,30)
InChIKeyMCXDNMMJCXTXKX-UHFFFAOYSA-N
XLogP1.43
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126459153
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330456
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
CID 119469450
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850014
1-[4-[4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 97289180
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 27841539

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 23605249) is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide is CC1CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is MCXDNMMJCXTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5S/c1-18-16-28(17-19(2)33-18)34(31,32)21-8-6-20(7-9-21)22(29)26-14-10-24(11-15-26,23(25)30)27-12-4-3-5-13-27/h6-9,18-19H,3-5,10-17H2,1-2H3,(H2,25,30).
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 492.64 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23605249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).