3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide

C21H33N3O3S — CID 52891957

IUPAC3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-17(2)15-21(25)22-19-16-18(28(26,27)24-13-7-4-8-14-24)9-10-20(19)23-11-5-3-6-12-23/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,22,25)
InChIKeyUADSYEYCLIJMOZ-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.84
Rot. Bonds6

About 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide

3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 52891957) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID52891957
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-17(2)15-21(25)22-19-16-18(28(26,27)24-13-7-4-8-14-24)9-10-20(19)23-11-5-3-6-12-23/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,22,25)
InChIKeyUADSYEYCLIJMOZ-UHFFFAOYSA-N
XLogP3.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 25466236
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 24979456
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
1-(4-methylphenyl)sulfonyl-3-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)urea
CID 5020019
4-acetamido-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26524447
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-3-methylbutanamide
CID 2946302
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide (CID 52891957) is 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide is CC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is UADSYEYCLIJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-17(2)15-21(25)22-19-16-18(28(26,27)24-13-7-4-8-14-24)9-10-20(19)23-11-5-3-6-12-23/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,22,25).
What are the key properties of 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide?
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 407.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 52891957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).