N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide

C17H24N4O — CID 21252890

IUPACN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
InChIKeyCRKKBLJOBGERJR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.35
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide

N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 21252890) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID21252890
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
InChIKeyCRKKBLJOBGERJR-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide (CID 21252890) is N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is CRKKBLJOBGERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide?
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 21252890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).