2-(4-aminopiperidin-1-yl)-N-methylacetamide

C8H17N3O — CID 18071178

IUPAC2-(4-aminopiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C8H17N3O/c1-10-8(12)6-11-4-2-7(9)3-5-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyMPPMMKDXSXSUTG-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-N-methylacetamide

2-(4-aminopiperidin-1-yl)-N-methylacetamide (PubChem CID 18071178) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-methylacetamide
PubChem CID18071178
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(4-aminopiperidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C8H17N3O/c1-10-8(12)6-11-4-2-7(9)3-5-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyMPPMMKDXSXSUTG-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methylacetamide (CID 18071178) is 2-(4-aminopiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-methylacetamide is CNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-methylacetamide?
The InChIKey is MPPMMKDXSXSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(12)6-11-4-2-7(9)3-5-11/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-methylacetamide?
2-(4-aminopiperidin-1-yl)-N-methylacetamide has a molecular weight of 171.24 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 18071178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).