4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide

C23H23ClN4O2 — CID 71458755

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-9-20(10-8-19)30-21-5-3-4-18(16-21)17-27-12-14-28(15-13-27)23(29)26-22-6-1-2-11-25-22/h1-11,16H,12-15,17H2,(H,25,26,29)
InChIKeyJZTMJOFFJDVLAZ-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.88
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 71458755) 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-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID71458755
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-9-20(10-8-19)30-21-5-3-4-18(16-21)17-27-12-14-28(15-13-27)23(29)26-22-6-1-2-11-25-22/h1-11,16H,12-15,17H2,(H,25,26,29)
InChIKeyJZTMJOFFJDVLAZ-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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Related Compounds

Jnj-40355003
CID 46863664
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 127043920
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996135
4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-b]pyridazin-3-ylamide
CID 46213948
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
CID 46233810
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
CID 46233971
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-3-ylpiperazine-1-carboxamide
CID 46234146
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperazine-1-carboxamide
CID 46234149

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide (CID 71458755) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is JZTMJOFFJDVLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-7-9-20(10-8-19)30-21-5-3-4-18(16-21)17-27-12-14-28(15-13-27)23(29)26-22-6-1-2-11-25-22/h1-11,16H,12-15,17H2,(H,25,26,29).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-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-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71458755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).