N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C20H28F3N3O — CID 87016290

IUPACN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(2)25-11-9-24(10-12-25)14-19(27)26(18-7-8-18)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,15,18H,7-14H2,1-2H3
InChIKeyUSZVQKYCJJATPJ-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.22
Rot. Bonds6

About N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 87016290) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID87016290
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC NameN-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(2)25-11-9-24(10-12-25)14-19(27)26(18-7-8-18)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,15,18H,7-14H2,1-2H3
InChIKeyUSZVQKYCJJATPJ-UHFFFAOYSA-N
XLogP3.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
N-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78896719
2-(4-acetamidophenyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 31819420
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 31051670
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
CID 166062503
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 78895971
2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985183
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 86333617
(2S)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanoic acid
CID 129415016
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119906026
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 87016290) is N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(C)N1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is USZVQKYCJJATPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-15(2)25-11-9-24(10-12-25)14-19(27)26(18-7-8-18)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87016290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).