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

C21H31N5O2 — CID 70077964

IUPACN-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCC(NC(=O)CC)CC2)c2ccccc21
InChIInChI=1S/C21H31N5O2/c1-3-12-26-18-8-6-5-7-17(18)20(24-26)21(28)22-11-15-25-13-9-16(10-14-25)23-19(27)4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyYUSOMMJSIDRIJL-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.17
Rot. Bonds8

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

N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide (PubChem CID 70077964) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
PubChem CID70077964
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCC(NC(=O)CC)CC2)c2ccccc21
InChIInChI=1S/C21H31N5O2/c1-3-12-26-18-8-6-5-7-17(18)20(24-26)21(28)22-11-15-25-13-9-16(10-14-25)23-19(27)4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyYUSOMMJSIDRIJL-UHFFFAOYSA-N
XLogP2.17
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70078243
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
CID 15485212
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-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
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-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
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
CID 18695482

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The IUPAC name of N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide (CID 70077964) is N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide is CCCn1nc(C(=O)NCCN2CCC(NC(=O)CC)CC2)c2ccccc21.
What is the InChIKey of N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
The InChIKey is YUSOMMJSIDRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-3-12-26-18-8-6-5-7-17(18)20(24-26)21(28)22-11-15-25-13-9-16(10-14-25)23-19(27)4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide?
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide is sourced from PubChem (CID 70077964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).