N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C17H28N8O — CID 42511649

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)12-16-21-22-23-25(16)8-2-3-17(26)19-7-4-15-11-18-13-20-15/h11,13-14H,2-10,12H2,1H3,(H,18,20)(H,19,26)
InChIKeyGLOBJRASAJTKER-UHFFFAOYSA-N
MW360.47 g/mol
LogP0.77
Rot. Bonds9

About N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 42511649) has the molecular formula C17H28N8O and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID42511649
Molecular FormulaC17H28N8O
Molecular Weight360.47 g/mol
Exact Mass360.24
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)12-16-21-22-23-25(16)8-2-3-17(26)19-7-4-15-11-18-13-20-15/h11,13-14H,2-10,12H2,1H3,(H,18,20)(H,19,26)
InChIKeyGLOBJRASAJTKER-UHFFFAOYSA-N
XLogP0.77
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]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 N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 42511649) is N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is GLOBJRASAJTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O/c1-14-5-9-24(10-6-14)12-16-21-22-23-25(16)8-2-3-17(26)19-7-4-15-11-18-13-20-15/h11,13-14H,2-10,12H2,1H3,(H,18,20)(H,19,26).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 360.47 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 42511649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).