2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide

C12H18ClN3O2 — CID 60781101

IUPAC2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)7-15-9-3-5-16(6-4-9)8-12(14)17/h1-2,9,15H,3-8H2,(H2,14,17)
InChIKeyXBDYNDNONDEALK-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide

2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 60781101) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID60781101
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)7-15-9-3-5-16(6-4-9)8-12(14)17/h1-2,9,15H,3-8H2,(H2,14,17)
InChIKeyXBDYNDNONDEALK-UHFFFAOYSA-N
XLogP0.97
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide (CID 60781101) is 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2ccc(Cl)o2)CC1.
What is the InChIKey of 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is XBDYNDNONDEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)7-15-9-3-5-16(6-4-9)8-12(14)17/h1-2,9,15H,3-8H2,(H2,14,17).
What are the key properties of 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 271.75 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 60781101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).