N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide

C19H31N3O2 — CID 7964496

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O2/c1-2-21-3-5-22(6-4-21)17(23)13-20-18(24)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,24)
InChIKeyUFTUCYCJVQNARW-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 7964496) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
PubChem CID7964496
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O2/c1-2-21-3-5-22(6-4-21)17(23)13-20-18(24)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,24)
InChIKeyUFTUCYCJVQNARW-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide 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 N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide (CID 7964496) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide is CCN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is UFTUCYCJVQNARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-21-3-5-22(6-4-21)17(23)13-20-18(24)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 7964496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).