N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide

C20H21BrN2O3 — CID 108548886

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-8-6-14(7-9-16)19(24)22-15-10-12-23(13-11-15)20(25)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyFZGQCBQPYRKRJB-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide (PubChem CID 108548886) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
PubChem CID108548886
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H21BrN2O3/c1-26-16-8-6-14(7-9-16)19(24)22-15-10-12-23(13-11-15)20(25)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyFZGQCBQPYRKRJB-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide (CID 108548886) is N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3Br)CC2)cc1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is FZGQCBQPYRKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-26-16-8-6-14(7-9-16)19(24)22-15-10-12-23(13-11-15)20(25)17-4-2-3-5-18(17)21/h2-9,15H,10-13H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 417.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 108548886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).