N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide

C21H33N3O3 — CID 155759494

IUPACN-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide
SMILESCC(C)CN1CCC(Oc2ccc(NC(=O)CN3CCOCC3)cc2)CC1
InChIInChI=1S/C21H33N3O3/c1-17(2)15-23-9-7-20(8-10-23)27-19-5-3-18(4-6-19)22-21(25)16-24-11-13-26-14-12-24/h3-6,17,20H,7-16H2,1-2H3,(H,22,25)
InChIKeyJXIAQCZNWIAEHT-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.46
Rot. Bonds7

About N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide

N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide (PubChem CID 155759494) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide
PubChem CID155759494
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide
SMILESCC(C)CN1CCC(Oc2ccc(NC(=O)CN3CCOCC3)cc2)CC1
InChIInChI=1S/C21H33N3O3/c1-17(2)15-23-9-7-20(8-10-23)27-19-5-3-18(4-6-19)22-21(25)16-24-11-13-26-14-12-24/h3-6,17,20H,7-16H2,1-2H3,(H,22,25)
InChIKeyJXIAQCZNWIAEHT-UHFFFAOYSA-N
XLogP2.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide (CID 155759494) is N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide is CC(C)CN1CCC(Oc2ccc(NC(=O)CN3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide?
The InChIKey is JXIAQCZNWIAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-17(2)15-23-9-7-20(8-10-23)27-19-5-3-18(4-6-19)22-21(25)16-24-11-13-26-14-12-24/h3-6,17,20H,7-16H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide?
N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide has a molecular weight of 375.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).