N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide

C25H30N6O2 — CID 171329127

IUPACN-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C25H30N6O2/c32-23(26-19-20-7-3-1-4-8-20)21-9-11-22(12-10-21)31-24(27-28-29-31)25(13-5-2-6-14-25)30-15-17-33-18-16-30/h1,3-4,7-12H,2,5-6,13-19H2,(H,26,32)
InChIKeyAORRJLPGXQAOAD-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.08
Rot. Bonds6

About N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide

N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide (PubChem CID 171329127) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide
PubChem CID171329127
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C25H30N6O2/c32-23(26-19-20-7-3-1-4-8-20)21-9-11-22(12-10-21)31-24(27-28-29-31)25(13-5-2-6-14-25)30-15-17-33-18-16-30/h1,3-4,7-12H,2,5-6,13-19H2,(H,26,32)
InChIKeyAORRJLPGXQAOAD-UHFFFAOYSA-N
XLogP3.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
ethyl 3-[5-(4-methyl-1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzoate
CID 30314325
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide?
The IUPAC name of N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide (CID 171329127) is N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide.
What is the SMILES notation for N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide?
The canonical SMILES for N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide is O=C(NCc1ccccc1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide?
The InChIKey is AORRJLPGXQAOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-23(26-19-20-7-3-1-4-8-20)21-9-11-22(12-10-21)31-24(27-28-29-31)25(13-5-2-6-14-25)30-15-17-33-18-16-30/h1,3-4,7-12H,2,5-6,13-19H2,(H,26,32).
What are the key properties of N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide?
N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide has a molecular weight of 446.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzamide is sourced from PubChem (CID 171329127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).