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

C16H27N3O2 — CID 79209830

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1
InChIInChI=1S/C16H27N3O2/c17-15-2-1-14(11-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h1-2,13-15H,3-12,17H2
InChIKeyJSXUBNXISBKTHJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.46
Rot. Bonds3

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

(4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 79209830) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID79209830
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1
InChIInChI=1S/C16H27N3O2/c17-15-2-1-14(11-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h1-2,13-15H,3-12,17H2
InChIKeyJSXUBNXISBKTHJ-UHFFFAOYSA-N
XLogP0.46
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 79209830) is (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is NC1C=CC(C(=O)N2CCC(CN3CCOCC3)CC2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JSXUBNXISBKTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-15-2-1-14(11-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h1-2,13-15H,3-12,17H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 293.41 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79209830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).