[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone

C25H23FN2O2 — CID 9467029

IUPAC[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyPOICDEPLDTXXEN-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.01
Rot. Bonds5

About [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone

[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 9467029) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID9467029
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyPOICDEPLDTXXEN-UHFFFAOYSA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone
CID 9467028
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43046457
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 43047826
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone;oxalic acid
CID 146048643
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone (CID 9467029) is [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is POICDEPLDTXXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c26-23-13-7-4-10-20(23)18-27-14-16-28(17-15-27)25(30)22-12-6-5-11-21(22)24(29)19-8-2-1-3-9-19/h1-13H,14-18H2.
What are the key properties of [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone?
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 402.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 9467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).