N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C23H37N3O4S — CID 25161593

IUPACN-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1C
InChIInChI=1S/C23H37N3O4S/c1-17-16-18(2)20(4)22(19(17)3)31(28,29)26-10-6-21(7-11-26)23(27)24-8-5-9-25-12-14-30-15-13-25/h16,21H,5-15H2,1-4H3,(H,24,27)
InChIKeyKLXKVUDAAXJDKD-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.16
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25161593) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25161593
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1C
InChIInChI=1S/C23H37N3O4S/c1-17-16-18(2)20(4)22(19(17)3)31(28,29)26-10-6-21(7-11-26)23(27)24-8-5-9-25-12-14-30-15-13-25/h16,21H,5-15H2,1-4H3,(H,24,27)
InChIKeyKLXKVUDAAXJDKD-UHFFFAOYSA-N
XLogP2.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.16
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-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 25161593) is N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1C.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KLXKVUDAAXJDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-17-16-18(2)20(4)22(19(17)3)31(28,29)26-10-6-21(7-11-26)23(27)24-8-5-9-25-12-14-30-15-13-25/h16,21H,5-15H2,1-4H3,(H,24,27).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 451.63 g/mol, XLogP of 2.16, 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-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25161593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).