N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide

C16H25N3O2 — CID 60849315

IUPACN-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)CN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-13(2-3-14-4-6-15(20)7-5-14)18-16(21)12-19-10-8-17-9-11-19/h4-7,13,17,20H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyGJBGAVGKVNRJDL-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.73
Rot. Bonds6

About N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide

N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide (PubChem CID 60849315) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide
PubChem CID60849315
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)CN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-13(2-3-14-4-6-15(20)7-5-14)18-16(21)12-19-10-8-17-9-11-19/h4-7,13,17,20H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyGJBGAVGKVNRJDL-UHFFFAOYSA-N
XLogP0.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide (CID 60849315) is N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide is CC(CCc1ccc(O)cc1)NC(=O)CN1CCNCC1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide?
The InChIKey is GJBGAVGKVNRJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2-3-14-4-6-15(20)7-5-14)18-16(21)12-19-10-8-17-9-11-19/h4-7,13,17,20H,2-3,8-12H2,1H3,(H,18,21).
What are the key properties of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide?
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide has a molecular weight of 291.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60849315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).