N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C20H31N3O4S — CID 648784

IUPACN-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H31N3O4S/c1-16(2)15-21-20(24)17-7-9-22(10-8-17)18-3-5-19(6-4-18)28(25,26)23-11-13-27-14-12-23/h3-6,16-17H,7-15H2,1-2H3,(H,21,24)
InChIKeyHWDKJMPEVXHELT-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.70
Rot. Bonds6

About N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 648784) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID648784
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H31N3O4S/c1-16(2)15-21-20(24)17-7-9-22(10-8-17)18-3-5-19(6-4-18)28(25,26)23-11-13-27-14-12-23/h3-6,16-17H,7-15H2,1-2H3,(H,21,24)
InChIKeyHWDKJMPEVXHELT-UHFFFAOYSA-N
XLogP1.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 648784) is N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is HWDKJMPEVXHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16(2)15-21-20(24)17-7-9-22(10-8-17)18-3-5-19(6-4-18)28(25,26)23-11-13-27-14-12-23/h3-6,16-17H,7-15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 648784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).