N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide

C25H24BrN3O3 — CID 46458174

IUPACN-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1
InChIInChI=1S/C25H24BrN3O3/c26-21-7-4-8-22(15-21)32-23-10-9-20(17-27-23)25(31)29-13-11-19(12-14-29)24(30)28-16-18-5-2-1-3-6-18/h1-10,15,17,19H,11-14,16H2,(H,28,30)
InChIKeyIIIFZXZPKFZWMZ-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.80
Rot. Bonds6

About N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide

N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 46458174) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID46458174
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC NameN-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1
InChIInChI=1S/C25H24BrN3O3/c26-21-7-4-8-22(15-21)32-23-10-9-20(17-27-23)25(31)29-13-11-19(12-14-29)24(30)28-16-18-5-2-1-3-6-18/h1-10,15,17,19H,11-14,16H2,(H,28,30)
InChIKeyIIIFZXZPKFZWMZ-UHFFFAOYSA-N
XLogP4.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630
[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
2-[4-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55706766
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 47062766
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide (CID 46458174) is N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1.
What is the InChIKey of N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is IIIFZXZPKFZWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c26-21-7-4-8-22(15-21)32-23-10-9-20(17-27-23)25(31)29-13-11-19(12-14-29)24(30)28-16-18-5-2-1-3-6-18/h1-10,15,17,19H,11-14,16H2,(H,28,30).
What are the key properties of N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 494.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46458174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).