N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide

C18H26N4O — CID 10734058

IUPACN-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N4O/c1-14(2)22-16-9-5-4-8-15(16)17(20-22)18(23)19-10-13-21-11-6-3-7-12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,23)
InChIKeySTPKMQYYIZVBCT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.83
Rot. Bonds5

About N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide

N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10734058) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID10734058
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N4O/c1-14(2)22-16-9-5-4-8-15(16)17(20-22)18(23)19-10-13-21-11-6-3-7-12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,23)
InChIKeySTPKMQYYIZVBCT-UHFFFAOYSA-N
XLogP2.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide (CID 10734058) is N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NCCN2CCCCC2)c2ccccc21.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is STPKMQYYIZVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)22-16-9-5-4-8-15(16)17(20-22)18(23)19-10-13-21-11-6-3-7-12-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,23).
What are the key properties of N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide?
N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10734058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).