(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C12H23N3O2 — CID 54925191

IUPAC(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CCO)CC2)CCCC1
InChIInChI=1S/C12H23N3O2/c13-12(3-1-2-4-12)11(17)15-7-5-14(6-8-15)9-10-16/h16H,1-10,13H2
InChIKeyHOPXRQASKSVHND-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.61
Rot. Bonds3

About (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 54925191) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID54925191
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CCO)CC2)CCCC1
InChIInChI=1S/C12H23N3O2/c13-12(3-1-2-4-12)11(17)15-7-5-14(6-8-15)9-10-16/h16H,1-10,13H2
InChIKeyHOPXRQASKSVHND-UHFFFAOYSA-N
XLogP-0.61
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 54925191) is (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(CCO)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is HOPXRQASKSVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-12(3-1-2-4-12)11(17)15-7-5-14(6-8-15)9-10-16/h16H,1-10,13H2.
What are the key properties of (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 241.33 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 54925191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).