N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide

C18H19Cl2N3O2 — CID 46891218

IUPACN-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-2-1-13(17(20)11-14)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15/h1-4,7-8,11,16H,5-6,9-10,12H2,(H,22,24)
InChIKeyXBXUBZLJPGESQU-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.14
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide (PubChem CID 46891218) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
PubChem CID46891218
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-2-1-13(17(20)11-14)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15/h1-4,7-8,11,16H,5-6,9-10,12H2,(H,22,24)
InChIKeyXBXUBZLJPGESQU-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide (CID 46891218) is N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The InChIKey is XBXUBZLJPGESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c19-14-2-1-13(17(20)11-14)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15/h1-4,7-8,11,16H,5-6,9-10,12H2,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 46891218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).