N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide

C23H35N5O2 — CID 70078243

IUPACN-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCC(NC(=O)C(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C23H35N5O2/c1-5-13-28-19-9-7-6-8-18(19)20(26-28)21(29)24-12-16-27-14-10-17(11-15-27)25-22(30)23(2,3)4/h6-9,17H,5,10-16H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyPMLAAOAEMRGOOQ-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.80
Rot. Bonds7

About N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide

N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide (PubChem CID 70078243) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
PubChem CID70078243
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCC(NC(=O)C(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C23H35N5O2/c1-5-13-28-19-9-7-6-8-18(19)20(26-28)21(29)24-12-16-27-14-10-17(11-15-27)25-22(30)23(2,3)4/h6-9,17H,5,10-16H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyPMLAAOAEMRGOOQ-UHFFFAOYSA-N
XLogP2.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
CID 15485212
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
CID 15435295
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
CID 18695482
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide (CID 70078243) is N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide is CCCn1nc(C(=O)NCCN2CCC(NC(=O)C(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The InChIKey is PMLAAOAEMRGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-5-13-28-19-9-7-6-8-18(19)20(26-28)21(29)24-12-16-27-14-10-17(11-15-27)25-22(30)23(2,3)4/h6-9,17H,5,10-16H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide is sourced from PubChem (CID 70078243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).