1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride

C13H21ClF3N3O3 — CID 131964158

IUPAC1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride
SMILESCC(O)(C(=O)N1CCC(C2(C(=O)NN)CC2)CC1)C(F)(F)F.Cl
InChIInChI=1S/C13H20F3N3O3.ClH/c1-11(22,13(14,15)16)10(21)19-6-2-8(3-7-19)12(4-5-12)9(20)18-17;/h8,22H,2-7,17H2,1H3,(H,18,20);1H
InChIKeyUAVSDHMNIKWQLK-UHFFFAOYSA-N
MW359.78 g/mol
LogP0.73
Rot. Bonds3

About 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride

1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride (PubChem CID 131964158) has the molecular formula C13H21ClF3N3O3 and a molecular weight of 359.78 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride
PubChem CID131964158
Molecular FormulaC13H21ClF3N3O3
Molecular Weight359.78 g/mol
Exact Mass359.12
IUPAC Name1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride
SMILESCC(O)(C(=O)N1CCC(C2(C(=O)NN)CC2)CC1)C(F)(F)F.Cl
InChIInChI=1S/C13H20F3N3O3.ClH/c1-11(22,13(14,15)16)10(21)19-6-2-8(3-7-19)12(4-5-12)9(20)18-17;/h8,22H,2-7,17H2,1H3,(H,18,20);1H
InChIKeyUAVSDHMNIKWQLK-UHFFFAOYSA-N
XLogP0.73
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[3-[4-(trifluoromethoxy)phenyl]-1,2-dihydropyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 122638157
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
CID 69473843
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167202
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
2-amino-3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495390
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2-methyl-3H-pyrrol-5-yl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 122643895
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110416791
3,3,3-trifluoro-2-hydroxy-1-[4-[3-(4-methoxyphenyl)triazol-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118167032
[2-[(4aR,7aR)-6-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-2-oxoethyl]urea
CID 171678084

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride?
The IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride (CID 131964158) is 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride?
The canonical SMILES for 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride is CC(O)(C(=O)N1CCC(C2(C(=O)NN)CC2)CC1)C(F)(F)F.Cl.
What is the InChIKey of 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride?
The InChIKey is UAVSDHMNIKWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3.ClH/c1-11(22,13(14,15)16)10(21)19-6-2-8(3-7-19)12(4-5-12)9(20)18-17;/h8,22H,2-7,17H2,1H3,(H,18,20);1H.
What are the key properties of 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride?
1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride has a molecular weight of 359.78 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]cyclopropane-1-carbohydrazide;hydrochloride is sourced from PubChem (CID 131964158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).