1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

C20H34N4O3 — CID 128927567

IUPAC1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)CC1
InChIInChI=1S/C20H34N4O3/c1-17(25)22-12-14-24(15-13-22)20(27)16-21-8-10-23(11-9-21)19(26)7-6-18-4-2-3-5-18/h18H,2-16H2,1H3
InChIKeyDCNMZFMSAOJUNV-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.79
Rot. Bonds5

About 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 128927567) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID128927567
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)CC1
InChIInChI=1S/C20H34N4O3/c1-17(25)22-12-14-24(15-13-22)20(27)16-21-8-10-23(11-9-21)19(26)7-6-18-4-2-3-5-18/h18H,2-16H2,1H3
InChIKeyDCNMZFMSAOJUNV-UHFFFAOYSA-N
XLogP0.79
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one with MolForge

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Related Compounds

2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78856763
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110898395
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-aminocyclohexyl)propan-1-one
CID 80694908
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 128927567) is 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is CC(=O)N1CCN(C(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is DCNMZFMSAOJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-17(25)22-12-14-24(15-13-22)20(27)16-21-8-10-23(11-9-21)19(26)7-6-18-4-2-3-5-18/h18H,2-16H2,1H3.
What are the key properties of 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 128927567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).