N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide

C18H20ClN3O2 — CID 71798883

IUPACN-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O2/c19-16-7-4-10-20-17(16)24-15-8-11-22(12-9-15)18(23)21-13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,21,23)
InChIKeyPXUJBYTVQNBELZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.49
Rot. Bonds4

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

N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide (PubChem CID 71798883) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide
PubChem CID71798883
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O2/c19-16-7-4-10-20-17(16)24-15-8-11-22(12-9-15)18(23)21-13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,21,23)
InChIKeyPXUJBYTVQNBELZ-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide (CID 71798883) is N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide?
The InChIKey is PXUJBYTVQNBELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-7-4-10-20-17(16)24-15-8-11-22(12-9-15)18(23)21-13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,21,23).
What are the key properties of N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide?
N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3-chloro-2-pyridinyl)oxy]piperidine-1-carboxamide is sourced from PubChem (CID 71798883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).