N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H19F4N3O — CID 113107500

IUPACN-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O/c20-17-4-2-1-3-14(17)13-24-18(27)26-11-9-25(10-12-26)16-7-5-15(6-8-16)19(21,22)23/h1-8H,9-13H2,(H,24,27)
InChIKeyGTDMLNDUTYCTRQ-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.88
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113107500) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113107500
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F4N3O/c20-17-4-2-1-3-14(17)13-24-18(27)26-11-9-25(10-12-26)16-7-5-15(6-8-16)19(21,22)23/h1-8H,9-13H2,(H,24,27)
InChIKeyGTDMLNDUTYCTRQ-UHFFFAOYSA-N
XLogP3.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534821
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113107500) is N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is GTDMLNDUTYCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c20-17-4-2-1-3-14(17)13-24-18(27)26-11-9-25(10-12-26)16-7-5-15(6-8-16)19(21,22)23/h1-8H,9-13H2,(H,24,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).