2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide

C18H27N3O2 — CID 43816728

IUPAC2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(14-19-13-15-7-6-12-23-15)20-16-8-2-3-9-17(16)21-10-4-1-5-11-21/h2-3,8-9,15,19H,1,4-7,10-14H2,(H,20,22)
InChIKeyDJYHZDSEYWLZCS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.38
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide

2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 43816728) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID43816728
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(14-19-13-15-7-6-12-23-15)20-16-8-2-3-9-17(16)21-10-4-1-5-11-21/h2-3,8-9,15,19H,1,4-7,10-14H2,(H,20,22)
InChIKeyDJYHZDSEYWLZCS-UHFFFAOYSA-N
XLogP2.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide (CID 43816728) is 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide is O=C(CNCC1CCCO1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is DJYHZDSEYWLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(14-19-13-15-7-6-12-23-15)20-16-8-2-3-9-17(16)21-10-4-1-5-11-21/h2-3,8-9,15,19H,1,4-7,10-14H2,(H,20,22).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide?
2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 43816728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).