3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C19H22ClN3O3 — CID 122256474

IUPAC3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-25-15-6-4-14(5-7-15)11-22-19(24)23-10-2-3-16(13-23)26-18-8-9-21-12-17(18)20/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyHMZDMUBXCFGEOT-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.50
Rot. Bonds5

About 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 122256474) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID122256474
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-25-15-6-4-14(5-7-15)11-22-19(24)23-10-2-3-16(13-23)26-18-8-9-21-12-17(18)20/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyHMZDMUBXCFGEOT-UHFFFAOYSA-N
XLogP3.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
3-[(3-chloro-4-pyridinyl)oxy]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 122256463
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 122256474) is 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Oc3ccncc3Cl)C2)cc1.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HMZDMUBXCFGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-25-15-6-4-14(5-7-15)11-22-19(24)23-10-2-3-16(13-23)26-18-8-9-21-12-17(18)20/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,22,24).
What are the key properties of 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122256474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).