N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide

C22H22F7N3O — CID 10299289

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide
SMILESCc1cc(F)ccc1N1CCNCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)32-6-5-30-11-19(32)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3
InChIKeySEXIEPVVCPDKMR-UHFFFAOYSA-N
MW477.42 g/mol
LogP4.61
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide (PubChem CID 10299289) has the molecular formula C22H22F7N3O and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide
PubChem CID10299289
Molecular FormulaC22H22F7N3O
Molecular Weight477.42 g/mol
Exact Mass477.17
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide
SMILESCc1cc(F)ccc1N1CCNCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)32-6-5-30-11-19(32)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3
InChIKeySEXIEPVVCPDKMR-UHFFFAOYSA-N
XLogP4.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Levobupivacaine
CID 92253
Mepivacaine
CID 4062
Ropivacaine
CID 175805
Lidoflazine
CID 3926
Ropivacaine Hydrochloride
CID 175804
Bupivacaine Hydrochloride
CID 64737
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CID 117965
Bupivacaine (USAN:INN:BAN)
CID 2474
Cvt-2738
CID 2608606
Denatonium
CID 15488
2',6'-Pipecoloxylidide
CID 115282
(+)-Mepivacaine
CID 3032799

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide (CID 10299289) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide is Cc1cc(F)ccc1N1CCNCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is SEXIEPVVCPDKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F7N3O/c1-13-7-17(23)3-4-18(13)32-6-5-30-11-19(32)20(33)31(2)12-14-8-15(21(24,25)26)10-16(9-14)22(27,28)29/h3-4,7-10,19,30H,5-6,11-12H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 10299289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).