2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide

C26H30N4O2 — CID 90033264

IUPAC2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccc4[nH]ncc4c3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C26H30N4O2/c1-16-12-22(18-4-3-5-18)23(25(31)27-2)14-21(16)26(32)30-10-8-17(9-11-30)19-6-7-24-20(13-19)15-28-29-24/h6-7,12-15,17-18H,3-5,8-11H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyXFRNSHNAWXQYBL-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.52
Rot. Bonds4

About 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide

2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide (PubChem CID 90033264) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide
PubChem CID90033264
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccc4[nH]ncc4c3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C26H30N4O2/c1-16-12-22(18-4-3-5-18)23(25(31)27-2)14-21(16)26(32)30-10-8-17(9-11-30)19-6-7-24-20(13-19)15-28-29-24/h6-7,12-15,17-18H,3-5,8-11H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyXFRNSHNAWXQYBL-UHFFFAOYSA-N
XLogP4.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide?
The IUPAC name of 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide (CID 90033264) is 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide?
The canonical SMILES for 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide is CNC(=O)c1cc(C(=O)N2CCC(c3ccc4[nH]ncc4c3)CC2)c(C)cc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide?
The InChIKey is XFRNSHNAWXQYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-16-12-22(18-4-3-5-18)23(25(31)27-2)14-21(16)26(32)30-10-8-17(9-11-30)19-6-7-24-20(13-19)15-28-29-24/h6-7,12-15,17-18H,3-5,8-11H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide?
2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 90033264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).