N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide

C16H28N4O — CID 56722853

IUPACN-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15(21)18-7-6-13-5-4-8-20(10-13)11-14-9-17-12-19-14/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyDLWWWJQVHKZGIX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.17
Rot. Bonds5

About N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 56722853) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID56722853
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15(21)18-7-6-13-5-4-8-20(10-13)11-14-9-17-12-19-14/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyDLWWWJQVHKZGIX-UHFFFAOYSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide 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-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide (CID 56722853) is N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC1CCCN(Cc2cnc[nH]2)C1.
What is the InChIKey of N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is DLWWWJQVHKZGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)15(21)18-7-6-13-5-4-8-20(10-13)11-14-9-17-12-19-14/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 292.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).