(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C13H24N2O3 — CID 82696222

IUPAC(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C13H24N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h10-12,16H,1-9,14H2
InChIKeyHILHVYZVQUVSCO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.11
Rot. Bonds4

About (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82696222) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82696222
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C13H24N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h10-12,16H,1-9,14H2
InChIKeyHILHVYZVQUVSCO-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82696222) is (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NC1CCC(C(=O)N2CCC(OCCO)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is HILHVYZVQUVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h10-12,16H,1-9,14H2.
What are the key properties of (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82696222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).