2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone

C15H29N3O2 — CID 64677087

IUPAC2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)(O)CN1CCN(C(=O)CC2(N)CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-14(2,20)12-17-7-9-18(10-8-17)13(19)11-15(16)5-3-4-6-15/h20H,3-12,16H2,1-2H3
InChIKeyLHPRLIDTFTVVOF-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.56
Rot. Bonds4

About 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone

2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 64677087) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID64677087
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)(O)CN1CCN(C(=O)CC2(N)CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-14(2,20)12-17-7-9-18(10-8-17)13(19)11-15(16)5-3-4-6-15/h20H,3-12,16H2,1-2H3
InChIKeyLHPRLIDTFTVVOF-UHFFFAOYSA-N
XLogP0.56
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone (CID 64677087) is 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone is CC(C)(O)CN1CCN(C(=O)CC2(N)CCCC2)CC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is LHPRLIDTFTVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,20)12-17-7-9-18(10-8-17)13(19)11-15(16)5-3-4-6-15/h20H,3-12,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 64677087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).