3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide

C17H19BrN4O3 — CID 122259079

IUPAC3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ncc(Br)cn3)C2)c1
InChIInChI=1S/C17H19BrN4O3/c1-24-14-5-2-4-13(8-14)21-17(23)22-7-3-6-15(11-22)25-16-19-9-12(18)10-20-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,21,23)
InChIKeyMJJIJTGGICYNSC-UHFFFAOYSA-N
MW407.27 g/mol
LogP3.32
Rot. Bonds4

About 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide

3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 122259079) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID122259079
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ncc(Br)cn3)C2)c1
InChIInChI=1S/C17H19BrN4O3/c1-24-14-5-2-4-13(8-14)21-17(23)22-7-3-6-15(11-22)25-16-19-9-12(18)10-20-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,21,23)
InChIKeyMJJIJTGGICYNSC-UHFFFAOYSA-N
XLogP3.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
3-(5-bromopyrimidin-2-yl)oxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122259108
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
N-(3,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267746
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122268059
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 122259079) is 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(Oc3ncc(Br)cn3)C2)c1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is MJJIJTGGICYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c1-24-14-5-2-4-13(8-14)21-17(23)22-7-3-6-15(11-22)25-16-19-9-12(18)10-20-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,21,23).
What are the key properties of 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 122259079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).