N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C17H32N4O5S — CID 20968709

IUPACN-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H32N4O5S/c22-17(18-4-1-5-19-8-12-25-13-9-19)16-2-6-20(7-3-16)27(23,24)21-10-14-26-15-11-21/h16H,1-15H2,(H,18,22)
InChIKeyJEYKBWHAVIHPMK-UHFFFAOYSA-N
MW404.53 g/mol
LogP-0.89
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 20968709) has the molecular formula C17H32N4O5S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID20968709
Molecular FormulaC17H32N4O5S
Molecular Weight404.53 g/mol
Exact Mass404.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H32N4O5S/c22-17(18-4-1-5-19-8-12-25-13-9-19)16-2-6-20(7-3-16)27(23,24)21-10-14-26-15-11-21/h16H,1-15H2,(H,18,22)
InChIKeyJEYKBWHAVIHPMK-UHFFFAOYSA-N
XLogP-0.89
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 20968709) is N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JEYKBWHAVIHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O5S/c22-17(18-4-1-5-19-8-12-25-13-9-19)16-2-6-20(7-3-16)27(23,24)21-10-14-26-15-11-21/h16H,1-15H2,(H,18,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 404.53 g/mol, XLogP of -0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20968709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).