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

C23H28FN3O2 — CID 60547628

IUPACN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(c2ccc(F)cc2)C2CCCO2)C(c2ccccc2)C1
InChIInChI=1S/C23H28FN3O2/c1-26-13-14-27(20(16-26)17-6-3-2-4-7-17)23(28)25-22(21-8-5-15-29-21)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3,(H,25,28)
InChIKeyRUWNDKDEGAIJJC-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.74
Rot. Bonds4

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

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 60547628) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID60547628
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(c2ccc(F)cc2)C2CCCO2)C(c2ccccc2)C1
InChIInChI=1S/C23H28FN3O2/c1-26-13-14-27(20(16-26)17-6-3-2-4-7-17)23(28)25-22(21-8-5-15-29-21)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3,(H,25,28)
InChIKeyRUWNDKDEGAIJJC-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (CID 60547628) is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NC(c2ccc(F)cc2)C2CCCO2)C(c2ccccc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is RUWNDKDEGAIJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-26-13-14-27(20(16-26)17-6-3-2-4-7-17)23(28)25-22(21-8-5-15-29-21)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,20-22H,5,8,13-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 60547628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).