4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C16H22F3N3O2 — CID 95150226

IUPAC4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-12(11-24-2)21-7-9-22(10-8-21)15(23)20-14-6-4-3-5-13(14)16(17,18)19/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyMWBYCSMVRLDMBU-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.89
Rot. Bonds4

About 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 95150226) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID95150226
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-12(11-24-2)21-7-9-22(10-8-21)15(23)20-14-6-4-3-5-13(14)16(17,18)19/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1
InChIKeyMWBYCSMVRLDMBU-GFCCVEGCSA-N
XLogP2.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 166141535
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105019
2-(4-propanoyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 87021855
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 95150226) is 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COC[C@@H](C)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MWBYCSMVRLDMBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-12(11-24-2)21-7-9-22(10-8-21)15(23)20-14-6-4-3-5-13(14)16(17,18)19/h3-6,12H,7-11H2,1-2H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 95150226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).