3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C17H29N3O2 — CID 110665012

IUPAC3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)C2CCC2)CC1)N1CCCCC1
InChIInChI=1S/C17H29N3O2/c21-16(19-8-2-1-3-9-19)7-10-18-11-13-20(14-12-18)17(22)15-5-4-6-15/h15H,1-14H2
InChIKeyWOMWOWVIQCCERC-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds4

About 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 110665012) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID110665012
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(C(=O)C2CCC2)CC1)N1CCCCC1
InChIInChI=1S/C17H29N3O2/c21-16(19-8-2-1-3-9-19)7-10-18-11-13-20(14-12-18)17(22)15-5-4-6-15/h15H,1-14H2
InChIKeyWOMWOWVIQCCERC-UHFFFAOYSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108544689
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 110665012) is 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is O=C(CCN1CCN(C(=O)C2CCC2)CC1)N1CCCCC1.
What is the InChIKey of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is WOMWOWVIQCCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(19-8-2-1-3-9-19)7-10-18-11-13-20(14-12-18)17(22)15-5-4-6-15/h15H,1-14H2.
What are the key properties of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 307.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110665012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).