N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C23H38N4O4S — CID 3242852

IUPACN-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)N(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1
InChIInChI=1S/C23H38N4O4S/c1-20(2)25(19-21-7-4-3-5-8-21)12-6-11-24-23(28)22-9-13-26(14-10-22)32(29,30)27-15-17-31-18-16-27/h3-5,7-8,20,22H,6,9-19H2,1-2H3,(H,24,28)
InChIKeyZPXWLHCAIGIEHT-UHFFFAOYSA-N
MW466.65 g/mol
LogP1.69
Rot. Bonds10

About N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242852) has the molecular formula C23H38N4O4S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242852
Molecular FormulaC23H38N4O4S
Molecular Weight466.65 g/mol
Exact Mass466.26
IUPAC NameN-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)N(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1
InChIInChI=1S/C23H38N4O4S/c1-20(2)25(19-21-7-4-3-5-8-21)12-6-11-24-23(28)22-9-13-26(14-10-22)32(29,30)27-15-17-31-18-16-27/h3-5,7-8,20,22H,6,9-19H2,1-2H3,(H,24,28)
InChIKeyZPXWLHCAIGIEHT-UHFFFAOYSA-N
XLogP1.69
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3242852) is N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is CC(C)N(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZPXWLHCAIGIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4S/c1-20(2)25(19-21-7-4-3-5-8-21)12-6-11-24-23(28)22-9-13-26(14-10-22)32(29,30)27-15-17-31-18-16-27/h3-5,7-8,20,22H,6,9-19H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 466.65 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).