N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C23H27N3O6S — CID 649505

IUPACN-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
InChIKeyKMOUVLZOJLLOTQ-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.29
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 649505) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID649505
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
InChIKeyKMOUVLZOJLLOTQ-UHFFFAOYSA-N
XLogP2.29
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 649505) is N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is KMOUVLZOJLLOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 649505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).