N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C24H28FN3O3 — CID 53384012

IUPACN-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H28FN3O3/c25-20-10-8-19(9-11-20)22(23(29)26-17-18-5-2-1-3-6-18)27-12-14-28(15-13-27)24(30)21-7-4-16-31-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,26,29)
InChIKeyAFRJYKCOPXXLJI-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.51
Rot. Bonds6

About N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 53384012) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID53384012
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H28FN3O3/c25-20-10-8-19(9-11-20)22(23(29)26-17-18-5-2-1-3-6-18)27-12-14-28(15-13-27)24(30)21-7-4-16-31-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,26,29)
InChIKeyAFRJYKCOPXXLJI-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 53384012) is N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(NCc1ccccc1)C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is AFRJYKCOPXXLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-10-8-19(9-11-20)22(23(29)26-17-18-5-2-1-3-6-18)27-12-14-28(15-13-27)24(30)21-7-4-16-31-21/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,26,29).
What are the key properties of N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 425.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 53384012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).