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

C15H28N2O3 — CID 66008555

IUPAC(3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-19-9-10-20-14-5-7-17(8-6-14)15(18)12-3-4-13(16)11-12/h12-14H,2-11,16H2,1H3
InChIKeyNVRVCLYKMSYJBV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds6

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

(3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 66008555) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
PubChem CID66008555
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
SMILESCCOCCOC1CCN(C(=O)C2CCC(N)C2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-19-9-10-20-14-5-7-17(8-6-14)15(18)12-3-4-13(16)11-12/h12-14H,2-11,16H2,1H3
InChIKeyNVRVCLYKMSYJBV-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone (CID 66008555) is (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is CCOCCOC1CCN(C(=O)C2CCC(N)C2)CC1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is NVRVCLYKMSYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-19-9-10-20-14-5-7-17(8-6-14)15(18)12-3-4-13(16)11-12/h12-14H,2-11,16H2,1H3.
What are the key properties of (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 66008555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).