(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C13H22N2O3 — CID 82696679

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C13H22N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h1-2,10-12,16H,3-9,14H2
InChIKeyPCHZRLLOIDDZSO-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.11
Rot. Bonds4

About (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82696679) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82696679
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(OCCO)CC2)C1
InChIInChI=1S/C13H22N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h1-2,10-12,16H,3-9,14H2
InChIKeyPCHZRLLOIDDZSO-UHFFFAOYSA-N
XLogP-0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804
(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696222
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696323
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 79210721
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695746
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 79207709
[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82696679) is (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NC1C=CC(C(=O)N2CCC(OCCO)CC2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is PCHZRLLOIDDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11-2-1-10(9-11)13(17)15-5-3-12(4-6-15)18-8-7-16/h1-2,10-12,16H,3-9,14H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 254.33 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 (4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82696679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).