N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide

C17H24N4O — CID 10494465

IUPACN-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-12(2)21-15-7-5-4-6-14(15)16(19-21)17(22)18-13-8-10-20(3)11-9-13/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)
InChIKeyMBLFSWCUICZANV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.44
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide

N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10494465) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID10494465
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-12(2)21-15-7-5-4-6-14(15)16(19-21)17(22)18-13-8-10-20(3)11-9-13/h4-7,12-13H,8-11H2,1-3H3,(H,18,22)
InChIKeyMBLFSWCUICZANV-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
Facinicline
CID 9970357
5-Fluoro-apinaca
CID 71711119

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide (CID 10494465) is N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCN(C)CC2)c2ccccc21.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is MBLFSWCUICZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21-15-7-5-4-6-14(15)16(19-21)17(22)18-13-8-10-20(3)11-9-13/h4-7,12-13H,8-11H2,1-3H3,(H,18,22).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10494465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).