1-(3-aminopiperidin-1-yl)-2-methoxyethanone

C8H16N2O2 — CID 61297929

IUPAC1-(3-aminopiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3
InChIKeySDPGMRYYMHCQKW-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-methoxyethanone

1-(3-aminopiperidin-1-yl)-2-methoxyethanone (PubChem CID 61297929) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-methoxyethanone
PubChem CID61297929
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-aminopiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3
InChIKeySDPGMRYYMHCQKW-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopiperidin-1-yl)-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-methoxyethanone (CID 61297929) is 1-(3-aminopiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-methoxyethanone?
The InChIKey is SDPGMRYYMHCQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6,9H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-methoxyethanone?
1-(3-aminopiperidin-1-yl)-2-methoxyethanone has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 61297929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).