piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C10H16F3N3O — CID 67629541

IUPACpiperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCNCC1)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)8-2-1-5-16(8)9(17)15-6-3-14-4-7-15/h8,14H,1-7H2/t8-/m1/s1
InChIKeyHDZAAHOHTOHFMO-MRVPVSSYSA-N
MW251.25 g/mol
LogP1.04
Rot. Bonds

About piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 67629541) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID67629541
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Namepiperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCNCC1)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c11-10(12,13)8-2-1-5-16(8)9(17)15-6-3-14-4-7-15/h8,14H,1-7H2/t8-/m1/s1
InChIKeyHDZAAHOHTOHFMO-MRVPVSSYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 580352
1-(Piperidin-4-yl)imidazolidin-2-one hydrochloride
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1-(2-(Piperidin-1-yl)ethyl)imidazolidin-2-one
CID 17987132
1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53520592
2-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53599054
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 72044074
1-Methyl-3-(piperidin-4-yl)imidazolidin-2-one
CID 23463798
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
1-Ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 54593098
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 67629541) is piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(N1CCNCC1)N1CCC[C@@H]1C(F)(F)F.
What is the InChIKey of piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HDZAAHOHTOHFMO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c11-10(12,13)8-2-1-5-16(8)9(17)15-6-3-14-4-7-15/h8,14H,1-7H2/t8-/m1/s1.
What are the key properties of piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67629541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).