2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide

C24H30Br2N2O — CID 10436754

IUPAC2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H30Br2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyUGOMNHAPORMLNW-UHFFFAOYSA-N
MW522.33 g/mol
LogP6.11
Rot. Bonds7

About 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide

2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide (PubChem CID 10436754) has the molecular formula C24H30Br2N2O and a molecular weight of 522.33 g/mol. Its IUPAC name is 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide
PubChem CID10436754
Molecular FormulaC24H30Br2N2O
Molecular Weight522.33 g/mol
Exact Mass520.07
IUPAC Name2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H30Br2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyUGOMNHAPORMLNW-UHFFFAOYSA-N
XLogP6.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.33
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-Benzyl-piperidin-4-yl)-2-(3-bromo-phenyl)-acetamide
CID 10023073
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(3-Bromo-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9887523
2-(3-Bromo-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9936242
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
N-(1-Phenethyl-piperidin-4-yl)-2-phenyl-acetamide
CID 10969339
1-[4-[4-[(4-Bromophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389684
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidin-6-one
CID 44580939
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
2,6-Bis(4-bromophenyl)-3-phenylpiperidin-4-one
CID 3079036

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide (CID 10436754) is 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide is CC1CCCC(C)N1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is UGOMNHAPORMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Br2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide?
2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 522.33 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-bromophenyl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 10436754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).