N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide

C11H18N2O3 — CID 167205301

IUPACN-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C11H18N2O3/c1-8(14)12-7-11(16)10-3-5-13(6-4-10)9(2)15/h10H,3-7H2,1-2H3,(H,12,14)
InChIKeyVUMJUWCQWBPYDA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds3

About N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide

N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide (PubChem CID 167205301) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide
PubChem CID167205301
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C11H18N2O3/c1-8(14)12-7-11(16)10-3-5-13(6-4-10)9(2)15/h10H,3-7H2,1-2H3,(H,12,14)
InChIKeyVUMJUWCQWBPYDA-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide (CID 167205301) is N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide?
The InChIKey is VUMJUWCQWBPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(14)12-7-11(16)10-3-5-13(6-4-10)9(2)15/h10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide?
N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetylpiperidin-4-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 167205301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).