N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide

C25H33FN4O2 — CID 53384011

IUPACN-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C25H33FN4O2/c26-23-8-6-22(7-9-23)24(25(31)27-20-21-4-2-1-3-5-21)30-14-12-28(13-15-30)10-11-29-16-18-32-19-17-29/h1-9,24H,10-20H2,(H,27,31)
InChIKeySWISIHGMZIZBIC-UHFFFAOYSA-N
MW440.56 g/mol
LogP2.13
Rot. Bonds8

About N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide

N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide (PubChem CID 53384011) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide
PubChem CID53384011
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC NameN-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C25H33FN4O2/c26-23-8-6-22(7-9-23)24(25(31)27-20-21-4-2-1-3-5-21)30-14-12-28(13-15-30)10-11-29-16-18-32-19-17-29/h1-9,24H,10-20H2,(H,27,31)
InChIKeySWISIHGMZIZBIC-UHFFFAOYSA-N
XLogP2.13
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide (CID 53384011) is N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide is O=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is SWISIHGMZIZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c26-23-8-6-22(7-9-23)24(25(31)27-20-21-4-2-1-3-5-21)30-14-12-28(13-15-30)10-11-29-16-18-32-19-17-29/h1-9,24H,10-20H2,(H,27,31).
What are the key properties of N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide?
N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 440.56 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 53384011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).