4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide

C23H23ClN4O2 — CID 46863664

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
InChIKeyCTYVKSQPMCSUOR-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.88
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 46863664) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID46863664
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
InChIKeyCTYVKSQPMCSUOR-UHFFFAOYSA-N
XLogP4.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide (CID 46863664) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is CTYVKSQPMCSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46863664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).