1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

C18H31N3O2 — CID 119715746

IUPAC1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESNC1CCC(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1
InChIInChI=1S/C18H31N3O2/c19-16-7-6-15(13-16)18(23)21-11-9-20(10-12-21)17(22)8-5-14-3-1-2-4-14/h14-16H,1-13,19H2
InChIKeyJKWUDCXZDMTKMR-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 119715746) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID119715746
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESNC1CCC(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1
InChIInChI=1S/C18H31N3O2/c19-16-7-6-15(13-16)18(23)21-11-9-20(10-12-21)17(22)8-5-14-3-1-2-4-14/h14-16H,1-13,19H2
InChIKeyJKWUDCXZDMTKMR-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 119715746) is 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is NC1CCC(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1.
What is the InChIKey of 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is JKWUDCXZDMTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c19-16-7-6-15(13-16)18(23)21-11-9-20(10-12-21)17(22)8-5-14-3-1-2-4-14/h14-16H,1-13,19H2.
What are the key properties of 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 321.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 119715746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).