2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

C16H25N3O3 — CID 3856985

IUPAC2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(CC(O)CO)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O3/c1-17(14-5-3-2-4-6-14)16(22)12-19-9-7-18(8-10-19)11-15(21)13-20/h2-6,15,20-21H,7-13H2,1H3
InChIKeyIUSPJZKVABIRRH-UHFFFAOYSA-N
MW307.39 g/mol
LogP-0.38
Rot. Bonds6

About 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 3856985) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID3856985
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(CC(O)CO)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O3/c1-17(14-5-3-2-4-6-14)16(22)12-19-9-7-18(8-10-19)11-15(21)13-20/h2-6,15,20-21H,7-13H2,1H3
InChIKeyIUSPJZKVABIRRH-UHFFFAOYSA-N
XLogP-0.38
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 3856985) is 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(CC(O)CO)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is IUSPJZKVABIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17(14-5-3-2-4-6-14)16(22)12-19-9-7-18(8-10-19)11-15(21)13-20/h2-6,15,20-21H,7-13H2,1H3.
What are the key properties of 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 307.39 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 3856985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).