2-(1-acetylpiperidin-4-yl)acetic acid

C9H15NO3 — CID 10442408

IUPAC2-(1-acetylpiperidin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-4-2-8(3-5-10)6-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeySPNAWRHVQZEFHH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)acetic acid

2-(1-acetylpiperidin-4-yl)acetic acid (PubChem CID 10442408) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)acetic acid
PubChem CID10442408
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(1-acetylpiperidin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-4-2-8(3-5-10)6-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeySPNAWRHVQZEFHH-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)acetic acid (CID 10442408) is 2-(1-acetylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)acetic acid is CC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)acetic acid?
The InChIKey is SPNAWRHVQZEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)10-4-2-8(3-5-10)6-9(12)13/h8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(1-acetylpiperidin-4-yl)acetic acid?
2-(1-acetylpiperidin-4-yl)acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 10442408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).