(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

C18H26F3N3O — CID 37113607

IUPAC(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O/c1-3-8-22-17(25)14(2)24-11-9-23(10-12-24)13-15-4-6-16(7-5-15)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyUDCDEUGPDVOOCI-CQSZACIVSA-N
MW357.42 g/mol
LogP2.74
Rot. Bonds6

About (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 37113607) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID37113607
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O/c1-3-8-22-17(25)14(2)24-11-9-23(10-12-24)13-15-4-6-16(7-5-15)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyUDCDEUGPDVOOCI-CQSZACIVSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 155975106
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
(2S)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanoic acid
CID 129415016
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
N-(propylcarbamoyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618064
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632143
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (CID 37113607) is (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is CCCNC(=O)[C@@H](C)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is UDCDEUGPDVOOCI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-3-8-22-17(25)14(2)24-11-9-23(10-12-24)13-15-4-6-16(7-5-15)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 357.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 37113607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).