1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one

C11H16F3N3O2 — CID 71986503

IUPAC1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCNC1=O
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)8-1-4-16(5-2-8)7-9(18)17-6-3-15-10(17)19/h8H,1-7H2,(H,15,19)
InChIKeyCVMNNLKCGMJSBA-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.81
Rot. Bonds2

About 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 71986503) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
PubChem CID71986503
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCNC1=O
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)8-1-4-16(5-2-8)7-9(18)17-6-3-15-10(17)19/h8H,1-7H2,(H,15,19)
InChIKeyCVMNNLKCGMJSBA-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one (CID 71986503) is 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCC(C(F)(F)F)CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is CVMNNLKCGMJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)8-1-4-16(5-2-8)7-9(18)17-6-3-15-10(17)19/h8H,1-7H2,(H,15,19).
What are the key properties of 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 279.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 71986503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).