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

C18H34N4O4S — CID 22552977

IUPACN-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C18H34N4O4S/c23-18(19-7-5-8-20-12-14-26-15-13-20)17-6-4-11-22(16-17)27(24,25)21-9-2-1-3-10-21/h17H,1-16H2,(H,19,23)
InChIKeyXPJJXBAVXOEACB-UHFFFAOYSA-N
MW402.56 g/mol
LogP0.27
Rot. Bonds7

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

N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552977) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552977
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C18H34N4O4S/c23-18(19-7-5-8-20-12-14-26-15-13-20)17-6-4-11-22(16-17)27(24,25)21-9-2-1-3-10-21/h17H,1-16H2,(H,19,23)
InChIKeyXPJJXBAVXOEACB-UHFFFAOYSA-N
XLogP0.27
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 50.27
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-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 22552977) is N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is O=C(NCCCN1CCOCC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is XPJJXBAVXOEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c23-18(19-7-5-8-20-12-14-26-15-13-20)17-6-4-11-22(16-17)27(24,25)21-9-2-1-3-10-21/h17H,1-16H2,(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).