[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C15H24N4O2 — CID 81439177

IUPAC[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C15H24N4O2/c1-2-3-12(10-16)18-6-8-19(9-7-18)15(21)13-4-5-17-11-14(13)20/h4-5,11-12,20H,2-3,6-10,16H2,1H3
InChIKeyYHTPBDJOYDABEI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.67
Rot. Bonds5

About [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81439177) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81439177
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C15H24N4O2/c1-2-3-12(10-16)18-6-8-19(9-7-18)15(21)13-4-5-17-11-14(13)20/h4-5,11-12,20H,2-3,6-10,16H2,1H3
InChIKeyYHTPBDJOYDABEI-UHFFFAOYSA-N
XLogP0.67
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone 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 [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81439177) is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is CCCC(CN)N1CCN(C(=O)c2ccncc2O)CC1.
What is the InChIKey of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is YHTPBDJOYDABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-12(10-16)18-6-8-19(9-7-18)15(21)13-4-5-17-11-14(13)20/h4-5,11-12,20H,2-3,6-10,16H2,1H3.
What are the key properties of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81439177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).