1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one

C12H21N5O — CID 55169727

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C12H21N5O/c1-10(13)11-4-2-3-7-17(11)12(18)5-8-16-9-6-14-15-16/h6,9-11H,2-5,7-8,13H2,1H3
InChIKeyUAYBXXZWGYZLLB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds4

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 55169727) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID55169727
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C12H21N5O/c1-10(13)11-4-2-3-7-17(11)12(18)5-8-16-9-6-14-15-16/h6,9-11H,2-5,7-8,13H2,1H3
InChIKeyUAYBXXZWGYZLLB-UHFFFAOYSA-N
XLogP0.40
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one 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-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 55169727) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one is CC(N)C1CCCCN1C(=O)CCn1ccnn1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is UAYBXXZWGYZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(13)11-4-2-3-7-17(11)12(18)5-8-16-9-6-14-15-16/h6,9-11H,2-5,7-8,13H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 55169727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).