(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide

C23H45N3O2 — CID 155555474

IUPAC(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C23H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-21-12-13-24-22(20-21)23(27)25-14-15-26-16-18-28-19-17-26/h21-22,24H,2-20H2,1H3,(H,25,27)/t21-,22+/m1/s1
InChIKeySGSJHVWDCAQBNW-YADHBBJMSA-N
MW395.63 g/mol
LogP3.72
Rot. Bonds14

About (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide

(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide (PubChem CID 155555474) has the molecular formula C23H45N3O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
PubChem CID155555474
Molecular FormulaC23H45N3O2
Molecular Weight395.63 g/mol
Exact Mass395.35
IUPAC Name(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C23H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-21-12-13-24-22(20-21)23(27)25-14-15-26-16-18-28-19-17-26/h21-22,24H,2-20H2,1H3,(H,25,27)/t21-,22+/m1/s1
InChIKeySGSJHVWDCAQBNW-YADHBBJMSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide (CID 155555474) is (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide is CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide?
The InChIKey is SGSJHVWDCAQBNW-YADHBBJMSA-N. The full InChI is InChI=1S/C23H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-21-12-13-24-22(20-21)23(27)25-14-15-26-16-18-28-19-17-26/h21-22,24H,2-20H2,1H3,(H,25,27)/t21-,22+/m1/s1.
What are the key properties of (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide?
(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide has a molecular weight of 395.63 g/mol, XLogP of 3.72, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide is sourced from PubChem (CID 155555474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).