N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C22H35N3O5S — CID 6624432

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)c1
InChIInChI=1S/C22H35N3O5S/c1-16-10-17(2)14-25(13-16)31(27,28)24-9-5-6-18(15-24)22(26)23-12-19-11-20(29-3)7-8-21(19)30-4/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H,23,26)
InChIKeyRUTUQPTWHABNIC-UHFFFAOYSA-N
MW453.61 g/mol
LogP2.25
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 6624432) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID6624432
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)c1
InChIInChI=1S/C22H35N3O5S/c1-16-10-17(2)14-25(13-16)31(27,28)24-9-5-6-18(15-24)22(26)23-12-19-11-20(29-3)7-8-21(19)30-4/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H,23,26)
InChIKeyRUTUQPTWHABNIC-UHFFFAOYSA-N
XLogP2.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 15998242
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 92696285
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 92506301
N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552995
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869
(3S)-1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125042648
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 6624432) is N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is RUTUQPTWHABNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-16-10-17(2)14-25(13-16)31(27,28)24-9-5-6-18(15-24)22(26)23-12-19-11-20(29-3)7-8-21(19)30-4/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H,23,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6624432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).