N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

C20H20N4O2 — CID 86760649

IUPACN-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(18-16-6-2-3-7-17(16)22-23-18)21-15-10-8-14(9-11-15)20(26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,21,25)(H,22,23)
InChIKeyWITBBXNVEMSBME-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.44
Rot. Bonds3

About N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 86760649) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID86760649
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(18-16-6-2-3-7-17(16)22-23-18)21-15-10-8-14(9-11-15)20(26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,21,25)(H,22,23)
InChIKeyWITBBXNVEMSBME-UHFFFAOYSA-N
XLogP3.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (CID 86760649) is N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is WITBBXNVEMSBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(18-16-6-2-3-7-17(16)22-23-18)21-15-10-8-14(9-11-15)20(26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,21,25)(H,22,23).
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86760649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).