1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one

C17H25N3O2 — CID 109018108

IUPAC1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(16-6-4-3-5-7-16)18-9-8-17(22)20-12-10-19(11-13-20)15(2)21/h3-7,14,18H,8-13H2,1-2H3
InChIKeyUPTXFZVLXXQQRC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one (PubChem CID 109018108) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
PubChem CID109018108
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(16-6-4-3-5-7-16)18-9-8-17(22)20-12-10-19(11-13-20)15(2)21/h3-7,14,18H,8-13H2,1-2H3
InChIKeyUPTXFZVLXXQQRC-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253
3-(1-phenylethylamino)propanoic acid
CID 2826777
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-phenylurea
CID 110287264
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one (CID 109018108) is 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one is CC(=O)N1CCN(C(=O)CCNC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one?
The InChIKey is UPTXFZVLXXQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(16-6-4-3-5-7-16)18-9-8-17(22)20-12-10-19(11-13-20)15(2)21/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one has a molecular weight of 303.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one is sourced from PubChem (CID 109018108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).