N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide

C34H30F2N2O2 — CID 90754283

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NC2CCc3ccccc32)(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H30F2N2O2/c35-28-14-9-24(10-15-28)23-5-7-26(8-6-23)32(39)38-21-19-34(20-22-38,27-12-16-29(36)17-13-27)33(40)37-31-18-11-25-3-1-2-4-30(25)31/h1-10,12-17,31H,11,18-22H2,(H,37,40)
InChIKeyVLPIFDKMPXVTMG-UHFFFAOYSA-N
MW536.62 g/mol
LogP6.61
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide (PubChem CID 90754283) has the molecular formula C34H30F2N2O2 and a molecular weight of 536.62 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide
PubChem CID90754283
Molecular FormulaC34H30F2N2O2
Molecular Weight536.62 g/mol
Exact Mass536.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NC2CCc3ccccc32)(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H30F2N2O2/c35-28-14-9-24(10-15-28)23-5-7-26(8-6-23)32(39)38-21-19-34(20-22-38,27-12-16-29(36)17-13-27)33(40)37-31-18-11-25-3-1-2-4-30(25)31/h1-10,12-17,31H,11,18-22H2,(H,37,40)
InChIKeyVLPIFDKMPXVTMG-UHFFFAOYSA-N
XLogP6.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide (CID 90754283) is N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NC2CCc3ccccc32)(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is VLPIFDKMPXVTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N2O2/c35-28-14-9-24(10-15-28)23-5-7-26(8-6-23)32(39)38-21-19-34(20-22-38,27-12-16-29(36)17-13-27)33(40)37-31-18-11-25-3-1-2-4-30(25)31/h1-10,12-17,31H,11,18-22H2,(H,37,40).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 90754283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).