N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide

C24H24FN3O — CID 108867571

IUPACN-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O/c25-21-13-7-8-14-22(21)27-15-17-28(18-16-27)24(29)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,26,29)
InChIKeyPHEOLZPTJXNGFA-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.45
Rot. Bonds4

About N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide

N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108867571) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID108867571
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC NameN-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O/c25-21-13-7-8-14-22(21)27-15-17-28(18-16-27)24(29)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,26,29)
InChIKeyPHEOLZPTJXNGFA-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
CID 69018260
4-(2-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814201
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 108867571) is N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is PHEOLZPTJXNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-21-13-7-8-14-22(21)27-15-17-28(18-16-27)24(29)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,26,29).
What are the key properties of N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108867571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).