2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate

C14H27N3O3 — CID 54115319

IUPAC2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCC(=O)N1CCCCC1CCOC(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O3/c1-12(18)17-9-5-4-6-13(17)7-11-20-14(19)15-8-10-16(2)3/h13H,4-11H2,1-3H3,(H,15,19)
InChIKeyNJYFLUGNVLJPQW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.07
Rot. Bonds6

About 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate

2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 54115319) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID54115319
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCC(=O)N1CCCCC1CCOC(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O3/c1-12(18)17-9-5-4-6-13(17)7-11-20-14(19)15-8-10-16(2)3/h13H,4-11H2,1-3H3,(H,15,19)
InChIKeyNJYFLUGNVLJPQW-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate 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-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate (CID 54115319) is 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate is CC(=O)N1CCCCC1CCOC(=O)NCCN(C)C.
What is the InChIKey of 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is NJYFLUGNVLJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-12(18)17-9-5-4-6-13(17)7-11-20-14(19)15-8-10-16(2)3/h13H,4-11H2,1-3H3,(H,15,19).
What are the key properties of 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate?
2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 54115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).