4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide

C20H29N3O4S — CID 32601136

IUPAC4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(C)c1
InChIInChI=1S/C20H29N3O4S/c1-14-3-4-18(15(2)13-14)19(24)16-5-9-22(10-6-16)20(25)17-7-11-23(12-8-17)28(21,26)27/h3-4,13,16-17H,5-12H2,1-2H3,(H2,21,26,27)
InChIKeyRWTFMKXQBHPWST-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.64
Rot. Bonds4

About 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide

4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 32601136) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID32601136
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(C)c1
InChIInChI=1S/C20H29N3O4S/c1-14-3-4-18(15(2)13-14)19(24)16-5-9-22(10-6-16)20(25)17-7-11-23(12-8-17)28(21,26)27/h3-4,13,16-17H,5-12H2,1-2H3,(H2,21,26,27)
InChIKeyRWTFMKXQBHPWST-UHFFFAOYSA-N
XLogP1.64
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
CID 47055293
4-bromo-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 31827988
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119410392
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide (CID 32601136) is 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide is Cc1ccc(C(=O)C2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(C)c1.
What is the InChIKey of 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is RWTFMKXQBHPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-14-3-4-18(15(2)13-14)19(24)16-5-9-22(10-6-16)20(25)17-7-11-23(12-8-17)28(21,26)27/h3-4,13,16-17H,5-12H2,1-2H3,(H2,21,26,27).
What are the key properties of 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide?
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 32601136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).