4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide

C25H30N8O — CID 170434075

IUPAC4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCn1ncc2cc(-c3ccc(NC(=O)N4CCC(C(C)(C)C)CC4)cc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C25H30N8O/c1-25(2,3)18-9-11-33(12-10-18)24(34)27-19-6-7-20(21(14-19)23-28-30-31-29-23)16-5-8-22-17(13-16)15-26-32(22)4/h5-8,13-15,18H,9-12H2,1-4H3,(H,27,34)(H,28,29,30,31)
InChIKeyRIDGGZGEYSWRBL-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.71
Rot. Bonds3

About 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide

4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide (PubChem CID 170434075) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
PubChem CID170434075
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCn1ncc2cc(-c3ccc(NC(=O)N4CCC(C(C)(C)C)CC4)cc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C25H30N8O/c1-25(2,3)18-9-11-33(12-10-18)24(34)27-19-6-7-20(21(14-19)23-28-30-31-29-23)16-5-8-22-17(13-16)15-26-32(22)4/h5-8,13-15,18H,9-12H2,1-4H3,(H,27,34)(H,28,29,30,31)
InChIKeyRIDGGZGEYSWRBL-UHFFFAOYSA-N
XLogP4.71
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-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 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide (CID 170434075) is 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide is Cn1ncc2cc(-c3ccc(NC(=O)N4CCC(C(C)(C)C)CC4)cc3-c3nn[nH]n3)ccc21.
What is the InChIKey of 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is RIDGGZGEYSWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-25(2,3)18-9-11-33(12-10-18)24(34)27-19-6-7-20(21(14-19)23-28-30-31-29-23)16-5-8-22-17(13-16)15-26-32(22)4/h5-8,13-15,18H,9-12H2,1-4H3,(H,27,34)(H,28,29,30,31).
What are the key properties of 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide?
4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 170434075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).