2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

C14H29N3O — CID 79815246

IUPAC2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C14H29N3O/c1-4-14(15,5-2)13(18)16-8-11-17-9-6-12(3)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHKLHCUIGRLJJML-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (PubChem CID 79815246) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
PubChem CID79815246
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C14H29N3O/c1-4-14(15,5-2)13(18)16-8-11-17-9-6-12(3)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHKLHCUIGRLJJML-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide 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-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (CID 79815246) is 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is CCC(N)(CC)C(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The InChIKey is HKLHCUIGRLJJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-14(15,5-2)13(18)16-8-11-17-9-6-12(3)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 79815246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).