N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide

C19H28N4O — CID 15485212

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCC2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-3-12-23-17-7-5-4-6-16(17)18(21-23)19(24)20-11-8-15-9-13-22(2)14-10-15/h4-7,15H,3,8-14H2,1-2H3,(H,20,24)
InChIKeyMWRFUAGPOXAWBU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide (PubChem CID 15485212) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
PubChem CID15485212
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCC2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-3-12-23-17-7-5-4-6-16(17)18(21-23)19(24)20-11-8-15-9-13-22(2)14-10-15/h4-7,15H,3,8-14H2,1-2H3,(H,20,24)
InChIKeyMWRFUAGPOXAWBU-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide (CID 15485212) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide is CCCn1nc(C(=O)NCCC2CCN(C)CC2)c2ccccc21.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide?
The InChIKey is MWRFUAGPOXAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-12-23-17-7-5-4-6-16(17)18(21-23)19(24)20-11-8-15-9-13-22(2)14-10-15/h4-7,15H,3,8-14H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide is sourced from PubChem (CID 15485212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).