N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide

C19H20Br2N2O2 — CID 3746837

IUPACN-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C19H20Br2N2O2/c1-25-18-5-3-2-4-15(18)13-8-10-23(11-9-13)19(24)22-17-7-6-14(20)12-16(17)21/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyONVQKSDFTXBLLY-UHFFFAOYSA-N
MW468.19 g/mol
LogP5.63
Rot. Bonds3

About N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide

N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 3746837) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID3746837
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC NameN-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C19H20Br2N2O2/c1-25-18-5-3-2-4-15(18)13-8-10-23(11-9-13)19(24)22-17-7-6-14(20)12-16(17)21/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyONVQKSDFTXBLLY-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56556433
5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 166611442
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
CID 3261302
methyl 4-[[4-(2-methoxyphenyl)piperidine-1-carbothioyl]amino]benzoate
CID 3779210
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
N-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carbothioamide
CID 5010652

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 3746837) is N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1C1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ONVQKSDFTXBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-25-18-5-3-2-4-15(18)13-8-10-23(11-9-13)19(24)22-17-7-6-14(20)12-16(17)21/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 468.19 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3746837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).