N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

C25H31N5O3 — CID 71714698

IUPACN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyQEDSHPPMMPIPII-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.83
Rot. Bonds9

About N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (PubChem CID 71714698) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
PubChem CID71714698
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyQEDSHPPMMPIPII-UHFFFAOYSA-N
XLogP2.83
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (CID 71714698) is N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1.
What is the InChIKey of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The InChIKey is QEDSHPPMMPIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).