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

C29H32N4O3 — CID 71715678

IUPAC5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32)
InChIKeyHEJUNQANWHZANT-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.79
Rot. Bonds9

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

5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71715678) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71715678
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32)
InChIKeyHEJUNQANWHZANT-UHFFFAOYSA-N
XLogP4.79
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71715678) is 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is HEJUNQANWHZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71715678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).