2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide

C10H21N3O2 — CID 155013242

IUPAC2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)9-13-6-4-12(5-7-13)3-2-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyUNJWXIPLBUGLRA-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.27
Rot. Bonds5

About 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide

2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 155013242) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide
PubChem CID155013242
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)9-13-6-4-12(5-7-13)3-2-8-14/h14H,2-9H2,1H3,(H,11,15)
InChIKeyUNJWXIPLBUGLRA-UHFFFAOYSA-N
XLogP-1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide (CID 155013242) is 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(CCCO)CC1.
What is the InChIKey of 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is UNJWXIPLBUGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11-10(15)9-13-6-4-12(5-7-13)3-2-8-14/h14H,2-9H2,1H3,(H,11,15).
What are the key properties of 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 215.30 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 155013242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).