N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide

C34H35BrN2O — CID 155522708

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C34H35BrN2O/c1-25(29-15-17-33(35)18-16-29)36-34(38)32-13-7-26(8-14-32)23-27-19-21-37(22-20-27)24-28-9-11-31(12-10-28)30-5-3-2-4-6-30/h2-18,25,27H,19-24H2,1H3,(H,36,38)/t25-/m1/s1
InChIKeyCBORGOMEXDFMRJ-RUZDIDTESA-N
MW567.57 g/mol
LogP8.06
Rot. Bonds8

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 155522708) has the molecular formula C34H35BrN2O and a molecular weight of 567.57 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID155522708
Molecular FormulaC34H35BrN2O
Molecular Weight567.57 g/mol
Exact Mass566.19
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C34H35BrN2O/c1-25(29-15-17-33(35)18-16-29)36-34(38)32-13-7-26(8-14-32)23-27-19-21-37(22-20-27)24-28-9-11-31(12-10-28)30-5-3-2-4-6-30/h2-18,25,27H,19-24H2,1H3,(H,36,38)/t25-/m1/s1
InChIKeyCBORGOMEXDFMRJ-RUZDIDTESA-N
XLogP8.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.57
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155528494
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53286053
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
CID 99132118
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide
CID 93472982
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 43918790
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]benzamide
CID 98050774

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide (CID 155522708) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide is C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is CBORGOMEXDFMRJ-RUZDIDTESA-N. The full InChI is InChI=1S/C34H35BrN2O/c1-25(29-15-17-33(35)18-16-29)36-34(38)32-13-7-26(8-14-32)23-27-19-21-37(22-20-27)24-28-9-11-31(12-10-28)30-5-3-2-4-6-30/h2-18,25,27H,19-24H2,1H3,(H,36,38)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 567.57 g/mol, XLogP of 8.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 155522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).