(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

C23H34N2O6S — CID 24982127

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C23H34N2O6S/c1-17(21(26)24-13-15-30-16-14-24)31-22(27)18-9-11-25(12-10-18)32(28,29)20-7-5-19(6-8-20)23(2,3)4/h5-8,17-18H,9-16H2,1-4H3
InChIKeyKPECLQRKVVNWIY-UHFFFAOYSA-N
MW466.60 g/mol
LogP2.18
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24982127) has the molecular formula C23H34N2O6S and a molecular weight of 466.60 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24982127
Molecular FormulaC23H34N2O6S
Molecular Weight466.60 g/mol
Exact Mass466.21
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C23H34N2O6S/c1-17(21(26)24-13-15-30-16-14-24)31-22(27)18-9-11-25(12-10-18)32(28,29)20-7-5-19(6-8-20)23(2,3)4/h5-8,17-18H,9-16H2,1-4H3
InChIKeyKPECLQRKVVNWIY-UHFFFAOYSA-N
XLogP2.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (CID 24982127) is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is CC(OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is KPECLQRKVVNWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6S/c1-17(21(26)24-13-15-30-16-14-24)31-22(27)18-9-11-25(12-10-18)32(28,29)20-7-5-19(6-8-20)23(2,3)4/h5-8,17-18H,9-16H2,1-4H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 466.60 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24982127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).