(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

C19H28F3N3O3 — CID 95785912

IUPAC(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(CC(F)(F)F)C(C)(C)C2)c1
InChIInChI=1S/C19H28F3N3O3/c1-13(17(26)23-15-10-14(27-4)6-7-16(15)28-5)24-8-9-25(12-19(20,21)22)18(2,3)11-24/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,23,26)/t13-/m1/s1
InChIKeyHQKYRLZMOSDJKS-CYBMUJFWSA-N
MW403.45 g/mol
LogP2.99
Rot. Bonds6

About (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (PubChem CID 95785912) has the molecular formula C19H28F3N3O3 and a molecular weight of 403.45 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
PubChem CID95785912
Molecular FormulaC19H28F3N3O3
Molecular Weight403.45 g/mol
Exact Mass403.21
IUPAC Name(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(CC(F)(F)F)C(C)(C)C2)c1
InChIInChI=1S/C19H28F3N3O3/c1-13(17(26)23-15-10-14(27-4)6-7-16(15)28-5)24-8-9-25(12-19(20,21)22)18(2,3)11-24/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,23,26)/t13-/m1/s1
InChIKeyHQKYRLZMOSDJKS-CYBMUJFWSA-N
XLogP2.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 43061865
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128
1-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 100611671
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
(2R)-2-[4-[(2R)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221210
(2S)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221207
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (CID 95785912) is (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(CC(F)(F)F)C(C)(C)C2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The InChIKey is HQKYRLZMOSDJKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28F3N3O3/c1-13(17(26)23-15-10-14(27-4)6-7-16(15)28-5)24-8-9-25(12-19(20,21)22)18(2,3)11-24/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
(2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide has a molecular weight of 403.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethoxyphenyl)-2-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95785912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).