4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide

C27H24Br2N2O3 — CID 175040126

IUPAC4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide
SMILESC=Cc1cccc(C(=O)NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C27H24Br2N2O3/c1-2-18-4-3-5-23(24(18)19-6-10-21(28)11-7-19)25(32)30-26(33)31-16-14-27(34,15-17-31)20-8-12-22(29)13-9-20/h2-13,34H,1,14-17H2,(H,30,32,33)
InChIKeyQJLQTERKMCOHCC-UHFFFAOYSA-N
MW584.31 g/mol
LogP6.36
Rot. Bonds4

About 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide

4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 175040126) has the molecular formula C27H24Br2N2O3 and a molecular weight of 584.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID175040126
Molecular FormulaC27H24Br2N2O3
Molecular Weight584.31 g/mol
Exact Mass582.02
IUPAC Name4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide
SMILESC=Cc1cccc(C(=O)NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C27H24Br2N2O3/c1-2-18-4-3-5-23(24(18)19-6-10-21(28)11-7-19)25(32)30-26(33)31-16-14-27(34,15-17-31)20-8-12-22(29)13-9-20/h2-13,34H,1,14-17H2,(H,30,32,33)
InChIKeyQJLQTERKMCOHCC-UHFFFAOYSA-N
XLogP6.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.31
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide (CID 175040126) is 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide is C=Cc1cccc(C(=O)NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is QJLQTERKMCOHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Br2N2O3/c1-2-18-4-3-5-23(24(18)19-6-10-21(28)11-7-19)25(32)30-26(33)31-16-14-27(34,15-17-31)20-8-12-22(29)13-9-20/h2-13,34H,1,14-17H2,(H,30,32,33).
What are the key properties of 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide?
4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 584.31 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 175040126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).