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

C11H23N3O2 — CID 10398939

IUPACN-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(16)12-3-5-14-8-6-13(7-9-14)4-2-10-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyRYYHMZMIRFDTSB-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.88
Rot. Bonds6

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

N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 10398939) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide
PubChem CID10398939
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(16)12-3-5-14-8-6-13(7-9-14)4-2-10-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyRYYHMZMIRFDTSB-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide (CID 10398939) is N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CCCO)CC1.
What is the InChIKey of N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is RYYHMZMIRFDTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(16)12-3-5-14-8-6-13(7-9-14)4-2-10-15/h15H,2-10H2,1H3,(H,12,16).
What are the key properties of N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 229.32 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 10398939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).