1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide

C20H21BrN2O3 — CID 31302458

IUPAC1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)CC1
InChIInChI=1S/C20H21BrN2O3/c21-16-5-3-4-14(12-16)13-26-18-7-2-1-6-17(18)20(25)23-10-8-15(9-11-23)19(22)24/h1-7,12,15H,8-11,13H2,(H2,22,24)
InChIKeyZCHZUSWFWWSDLP-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide

1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide (PubChem CID 31302458) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
PubChem CID31302458
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)CC1
InChIInChI=1S/C20H21BrN2O3/c21-16-5-3-4-14(12-16)13-26-18-7-2-1-6-17(18)20(25)23-10-8-15(9-11-23)19(22)24/h1-7,12,15H,8-11,13H2,(H2,22,24)
InChIKeyZCHZUSWFWWSDLP-UHFFFAOYSA-N
XLogP3.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[(3-bromophenyl)methoxy]benzoyl]piperazine-1-carboxylate
CID 30687965
[2-[(3-bromophenyl)methoxy]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38909487
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24686333
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide (CID 31302458) is 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide?
The InChIKey is ZCHZUSWFWWSDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c21-16-5-3-4-14(12-16)13-26-18-7-2-1-6-17(18)20(25)23-10-8-15(9-11-23)19(22)24/h1-7,12,15H,8-11,13H2,(H2,22,24).
What are the key properties of 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide?
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 31302458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).