N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide

C12H22N2O3 — CID 107507575

IUPACN-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC(=O)CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-10(15)13-7-11-3-5-14(6-4-11)8-12(16)9-17-2/h11H,3-9H2,1-2H3,(H,13,15)
InChIKeyJDIMNZYDXKJZGS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds6

About N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 107507575) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
PubChem CID107507575
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
SMILESCOCC(=O)CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-10(15)13-7-11-3-5-14(6-4-11)8-12(16)9-17-2/h11H,3-9H2,1-2H3,(H,13,15)
InChIKeyJDIMNZYDXKJZGS-UHFFFAOYSA-N
XLogP0.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide (CID 107507575) is N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide is COCC(=O)CN1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JDIMNZYDXKJZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(15)13-7-11-3-5-14(6-4-11)8-12(16)9-17-2/h11H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 107507575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).