4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

C19H22ClN3O4 — CID 71798957

IUPAC4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc(OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-25-16-9-14(10-17(11-16)26-2)22-19(24)23-7-5-15(6-8-23)27-18-4-3-13(20)12-21-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,22,24)
InChIKeyAMZDCQRDIXBVGS-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.83
Rot. Bonds5

About 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 71798957) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID71798957
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc(OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-25-16-9-14(10-17(11-16)26-2)22-19(24)23-7-5-15(6-8-23)27-18-4-3-13(20)12-21-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,22,24)
InChIKeyAMZDCQRDIXBVGS-UHFFFAOYSA-N
XLogP3.83
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (CID 71798957) is 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc(OC)c1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is AMZDCQRDIXBVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-25-16-9-14(10-17(11-16)26-2)22-19(24)23-7-5-15(6-8-23)27-18-4-3-13(20)12-21-18/h3-4,9-12,15H,5-8H2,1-2H3,(H,22,24).
What are the key properties of 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71798957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).