N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

C51H51F6N5O — CID 159313660

IUPACN,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C27H28F3N3O.C24H23F3N2/c1-31(2)26(34)33-17-16-32(19-25(33)22-8-4-3-5-9-22)18-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27(28,29)30;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h3-15,25H,16-19H2,1-2H3;1-13,23,28H,14-17H2
InChIKeyLCWBCZSJSSMNLT-UHFFFAOYSA-N
MW863.99 g/mol
LogP11.43
Rot. Bonds8

About N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (PubChem CID 159313660) has the molecular formula C51H51F6N5O and a molecular weight of 863.99 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
PubChem CID159313660
Molecular FormulaC51H51F6N5O
Molecular Weight863.99 g/mol
Exact Mass863.40
IUPAC NameN,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C27H28F3N3O.C24H23F3N2/c1-31(2)26(34)33-17-16-32(19-25(33)22-8-4-3-5-9-22)18-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27(28,29)30;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h3-15,25H,16-19H2,1-2H3;1-13,23,28H,14-17H2
InChIKeyLCWBCZSJSSMNLT-UHFFFAOYSA-N
XLogP11.43
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.99
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 158531265
N,N-diethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide
CID 69150558
2-chloro-5-[(3-phenylpiperazin-1-yl)methyl]pyrimidine;5-[(3-phenylpiperazin-1-yl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 158539317
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]acetate;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 159363234
(3R)-3-benzyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;[(2R)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 160679268
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
CID 69057203
(4-bromophenyl)-(3-phenylpiperazin-1-yl)methanone;(3-phenylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
CID 159069067
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
(2S)-4-[(4-bromophenyl)methyl]-2-phenylmorpholine;(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine;[2-(trifluoromethyl)phenyl]boronic acid
CID 159211932
methyl 3-(4-benzylpiperazin-2-yl)benzoate
CID 162408491
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The IUPAC name of N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (CID 159313660) is N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is CN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1.
What is the InChIKey of N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The InChIKey is LCWBCZSJSSMNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O.C24H23F3N2/c1-31(2)26(34)33-17-16-32(19-25(33)22-8-4-3-5-9-22)18-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27(28,29)30;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h3-15,25H,16-19H2,1-2H3;1-13,23,28H,14-17H2.
What are the key properties of N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine has a molecular weight of 863.99 g/mol, XLogP of 11.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 159313660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).