N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide

C13H26N2O — CID 47006655

IUPACN-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCCC1CC
InChIInChI=1S/C13H26N2O/c1-4-11(3)14-13(16)10-15-9-7-6-8-12(15)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUDPDEPYVGYVUQA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide

N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 47006655) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID47006655
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCCC1CC
InChIInChI=1S/C13H26N2O/c1-4-11(3)14-13(16)10-15-9-7-6-8-12(15)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUDPDEPYVGYVUQA-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide (CID 47006655) is N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide is CCC(C)NC(=O)CN1CCCCC1CC.
What is the InChIKey of N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is UDPDEPYVGYVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(3)14-13(16)10-15-9-7-6-8-12(15)5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide?
N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 47006655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).