4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide

C23H28FN3O2 — CID 60547851

IUPAC4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-10-8-19(9-11-20)22(21-7-4-16-29-21)25-23(28)27-14-12-26(13-15-27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,25,28)
InChIKeyGIQFMRZAYOYWBZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.57
Rot. Bonds5

About 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide

4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 60547851) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
PubChem CID60547851
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-10-8-19(9-11-20)22(21-7-4-16-29-21)25-23(28)27-14-12-26(13-15-27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,25,28)
InChIKeyGIQFMRZAYOYWBZ-UHFFFAOYSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide (CID 60547851) is 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide is O=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is GIQFMRZAYOYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-20-10-8-19(9-11-20)22(21-7-4-16-29-21)25-23(28)27-14-12-26(13-15-27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,25,28).
What are the key properties of 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60547851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).