tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate

C22H33N3O6S — CID 24515330

IUPACtert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H33N3O6S/c1-16-7-8-18(14-19(16)32(28,29)25-10-12-30-13-11-25)23-20(26)17-6-5-9-24(15-17)21(27)31-22(2,3)4/h7-8,14,17H,5-6,9-13,15H2,1-4H3,(H,23,26)
InChIKeyZOEFYCRHQHACEW-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 24515330) has the molecular formula C22H33N3O6S and a molecular weight of 467.59 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID24515330
Molecular FormulaC22H33N3O6S
Molecular Weight467.59 g/mol
Exact Mass467.21
IUPAC Nametert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H33N3O6S/c1-16-7-8-18(14-19(16)32(28,29)25-10-12-30-13-11-25)23-20(26)17-6-5-9-24(15-17)21(27)31-22(2,3)4/h7-8,14,17H,5-6,9-13,15H2,1-4H3,(H,23,26)
InChIKeyZOEFYCRHQHACEW-UHFFFAOYSA-N
XLogP2.60
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 29357036
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
tert-butyl (3R)-3-[[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961600
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
tert-butyl (3S)-3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 129377148
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate (CID 24515330) is tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate is Cc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is ZOEFYCRHQHACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6S/c1-16-7-8-18(14-19(16)32(28,29)25-10-12-30-13-11-25)23-20(26)17-6-5-9-24(15-17)21(27)31-22(2,3)4/h7-8,14,17H,5-6,9-13,15H2,1-4H3,(H,23,26).
What are the key properties of tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 467.59 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24515330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).