4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide

C24H30ClFN4O2 — CID 42924644

IUPAC4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClFN4O2/c25-21-5-1-19(2-6-21)18-28-9-11-30(12-10-28)24(31)27-17-23(29-13-15-32-16-14-29)20-3-7-22(26)8-4-20/h1-8,23H,9-18H2,(H,27,31)
InChIKeyKEHGDYXBWQHXPA-UHFFFAOYSA-N
MW460.98 g/mol
LogP3.38
Rot. Bonds6

About 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide (PubChem CID 42924644) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide
PubChem CID42924644
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC Name4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClFN4O2/c25-21-5-1-19(2-6-21)18-28-9-11-30(12-10-28)24(31)27-17-23(29-13-15-32-16-14-29)20-3-7-22(26)8-4-20/h1-8,23H,9-18H2,(H,27,31)
InChIKeyKEHGDYXBWQHXPA-UHFFFAOYSA-N
XLogP3.38
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide (CID 42924644) is 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide?
The InChIKey is KEHGDYXBWQHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O2/c25-21-5-1-19(2-6-21)18-28-9-11-30(12-10-28)24(31)27-17-23(29-13-15-32-16-14-29)20-3-7-22(26)8-4-20/h1-8,23H,9-18H2,(H,27,31).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide has a molecular weight of 460.98 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 42924644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).