3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one

C16H23N3O2 — CID 119708809

IUPAC3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-13(17)11-15(20)18-7-9-19(10-8-18)16(21)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3
InChIKeyIWSVVTFNHXCJHU-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one

3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one (PubChem CID 119708809) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
PubChem CID119708809
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-13(17)11-15(20)18-7-9-19(10-8-18)16(21)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3
InChIKeyIWSVVTFNHXCJHU-UHFFFAOYSA-N
XLogP0.64
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
3-amino-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119728405
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
CID 120873763
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949791
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one (CID 119708809) is 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one is CC(N)CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one?
The InChIKey is IWSVVTFNHXCJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(17)11-15(20)18-7-9-19(10-8-18)16(21)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3.
What are the key properties of 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one?
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one has a molecular weight of 289.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119708809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).