N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

C26H34N4O — CID 11796305

IUPACN-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(CCCCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H34N4O/c1-20(2)30-24-14-7-6-13-23(24)25(28-30)26(31)27-22-15-18-29(19-16-22)17-9-8-12-21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,8-9,12,15-19H2,1-2H3,(H,27,31)
InChIKeyAHRROTRASDKRNS-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.83
Rot. Bonds8

About N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 11796305) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID11796305
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(CCCCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H34N4O/c1-20(2)30-24-14-7-6-13-23(24)25(28-30)26(31)27-22-15-18-29(19-16-22)17-9-8-12-21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,8-9,12,15-19H2,1-2H3,(H,27,31)
InChIKeyAHRROTRASDKRNS-UHFFFAOYSA-N
XLogP4.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (CID 11796305) is N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCN(CCCCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is AHRROTRASDKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-20(2)30-24-14-7-6-13-23(24)25(28-30)26(31)27-22-15-18-29(19-16-22)17-9-8-12-21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,8-9,12,15-19H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 418.59 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 11796305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).