2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

C20H22BrN3O3 — CID 71786488

IUPAC2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C20H22BrN3O3/c1-27-16-2-3-18(21)17(12-16)19(25)23-13-14-6-10-24(11-7-14)20(26)15-4-8-22-9-5-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyJBDQXGYJZMVZDR-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.13
Rot. Bonds5

About 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 71786488) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID71786488
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C20H22BrN3O3/c1-27-16-2-3-18(21)17(12-16)19(25)23-13-14-6-10-24(11-7-14)20(26)15-4-8-22-9-5-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)
InChIKeyJBDQXGYJZMVZDR-UHFFFAOYSA-N
XLogP3.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
ethyl [4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930107
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(2-bromo-5-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856193
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (CID 71786488) is 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is JBDQXGYJZMVZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-27-16-2-3-18(21)17(12-16)19(25)23-13-14-6-10-24(11-7-14)20(26)15-4-8-22-9-5-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 432.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 71786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).