4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C11H20F3N3O2 — CID 111519708

IUPAC4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-2-9(7-18)16-3-5-17(6-4-16)10(19)15-8-11(12,13)14/h9,18H,2-8H2,1H3,(H,15,19)
InChIKeyCQAFQLHNYKWWDR-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.65
Rot. Bonds4

About 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 111519708) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID111519708
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-2-9(7-18)16-3-5-17(6-4-16)10(19)15-8-11(12,13)14/h9,18H,2-8H2,1H3,(H,15,19)
InChIKeyCQAFQLHNYKWWDR-UHFFFAOYSA-N
XLogP0.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 75374952
1-Ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
CID 175926185
1-(1-Hydroxybutan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134901
N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71977283
N-[(2S)-4-methoxybutan-2-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97593588
N-[(2R)-4-methoxybutan-2-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97593589
N-[(2S)-4-methoxybutan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97593590
N-[(2R)-4-methoxybutan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97593591
N-(2-methoxyethyl)-3,4-dimethyl-5-(trifluoromethyl)piperazine-1-carboxamide
CID 108489137
N-(5-hydroxypentan-2-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 109893112
4-(2,2-difluoroethyl)-3-ethyl-N-(5-hydroxypentan-2-yl)piperazine-1-carboxamide
CID 109916157
1-(1-Hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 110895695

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 111519708) is 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CCC(CO)N1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is CQAFQLHNYKWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-2-9(7-18)16-3-5-17(6-4-16)10(19)15-8-11(12,13)14/h9,18H,2-8H2,1H3,(H,15,19).
What are the key properties of 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 111519708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).