N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide

C21H33N3O2 — CID 49132886

IUPACN-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCCc1cccc(N2CCC(NC(=O)N3CC(C)OC(C)(C)C3)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-5-17-7-6-8-19(13-17)23-11-9-18(10-12-23)22-20(25)24-14-16(2)26-21(3,4)15-24/h6-8,13,16,18H,5,9-12,14-15H2,1-4H3,(H,22,25)
InChIKeyKEPSQEGJFJDGRT-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.43
Rot. Bonds3

About N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide

N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 49132886) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID49132886
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCCc1cccc(N2CCC(NC(=O)N3CC(C)OC(C)(C)C3)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-5-17-7-6-8-19(13-17)23-11-9-18(10-12-23)22-20(25)24-14-16(2)26-21(3,4)15-24/h6-8,13,16,18H,5,9-12,14-15H2,1-4H3,(H,22,25)
InChIKeyKEPSQEGJFJDGRT-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide (CID 49132886) is N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide is CCc1cccc(N2CCC(NC(=O)N3CC(C)OC(C)(C)C3)CC2)c1.
What is the InChIKey of N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is KEPSQEGJFJDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-17-7-6-8-19(13-17)23-11-9-18(10-12-23)22-20(25)24-14-16(2)26-21(3,4)15-24/h6-8,13,16,18H,5,9-12,14-15H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide?
N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylphenyl)piperidin-4-yl]-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 49132886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).