2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide

C16H25N3O — CID 43692190

IUPAC2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
SMILESCCN1CCC(Nc2ccccc2CC(=O)NC)CC1
InChIInChI=1S/C16H25N3O/c1-3-19-10-8-14(9-11-19)18-15-7-5-4-6-13(15)12-16(20)17-2/h4-7,14,18H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyIVAFTYRNZQNGSA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide

2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide (PubChem CID 43692190) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
PubChem CID43692190
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
SMILESCCN1CCC(Nc2ccccc2CC(=O)NC)CC1
InChIInChI=1S/C16H25N3O/c1-3-19-10-8-14(9-11-19)18-15-7-5-4-6-13(15)12-16(20)17-2/h4-7,14,18H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyIVAFTYRNZQNGSA-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide (CID 43692190) is 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide is CCN1CCC(Nc2ccccc2CC(=O)NC)CC1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide?
The InChIKey is IVAFTYRNZQNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-10-8-14(9-11-19)18-15-7-5-4-6-13(15)12-16(20)17-2/h4-7,14,18H,3,8-12H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide?
2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43692190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).