N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

C25H31N5O2 — CID 10717651

IUPACN-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N5O2/c1-18(2)30-22-11-7-6-10-21(22)23(28-30)25(32)26-14-17-29-15-12-20(13-16-29)27-24(31)19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyVMSWNFDFACGWJR-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10717651) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID10717651
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N5O2/c1-18(2)30-22-11-7-6-10-21(22)23(28-30)25(32)26-14-17-29-15-12-20(13-16-29)27-24(31)19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyVMSWNFDFACGWJR-UHFFFAOYSA-N
XLogP3.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
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CID 10834269
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964
2,3-dihydroxybutanedioic acid;N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171352575
N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70078243
N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
CID 15435295
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55517726
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide (CID 10717651) is N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is VMSWNFDFACGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-18(2)30-22-11-7-6-10-21(22)23(28-30)25(32)26-14-17-29-15-12-20(13-16-29)27-24(31)19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,32)(H,27,31).
What are the key properties of N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10717651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).