2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

C18H32F3N3O — CID 177355708

IUPAC2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3O/c1-13(2)17(25)22-7-5-15(6-8-22)11-24-10-9-23(14(3)4)12-16(24)18(19,20)21/h13-16H,5-12H2,1-4H3
InChIKeyOWHCEUAPEAQSEW-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 177355708) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID177355708
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC Name2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3O/c1-13(2)17(25)22-7-5-15(6-8-22)11-24-10-9-23(14(3)4)12-16(24)18(19,20)21/h13-16H,5-12H2,1-4H3
InChIKeyOWHCEUAPEAQSEW-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[(1-cyclopentyl-3-piperidinyl)methyl]-4,4,4-trifluoro-N-[2-(1-piperidinyl)ethyl]butanamide
CID 45227748
N,N-dimethyl-2-[4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 72115498
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100740257
[1-(2,2-Difluoroethyl)piperidin-3-yl]-(2,4,5-trimethylpiperazin-1-yl)methanone
CID 132318448
N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164632263
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
2-(4-ethylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68185906
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 118052221
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 177355708) is 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is OWHCEUAPEAQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-13(2)17(25)22-7-5-15(6-8-22)11-24-10-9-23(14(3)4)12-16(24)18(19,20)21/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 363.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 177355708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).