1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one

C16H19F2N3O2 — CID 136543686

IUPAC1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
SMILESCC1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCC1(F)F
InChIInChI=1S/C16H19F2N3O2/c1-11-10-20(8-6-16(11,17)18)14(22)12-2-4-13(5-3-12)21-9-7-19-15(21)23/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyDDEZDSAGGOXYCN-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.33
Rot. Bonds2

About 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one

1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one (PubChem CID 136543686) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
PubChem CID136543686
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
SMILESCC1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCC1(F)F
InChIInChI=1S/C16H19F2N3O2/c1-11-10-20(8-6-16(11,17)18)14(22)12-2-4-13(5-3-12)21-9-7-19-15(21)23/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyDDEZDSAGGOXYCN-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
1-[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 86981324
ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
CID 51298973
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 120748028
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 128988563
2,2-dimethylpent-4-ynyl 4-(2-oxoimidazolidin-1-yl)benzoate
CID 75450735
N,N,3,3-tetramethyl-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxamide
CID 75401006
cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
CID 126785948
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235
2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119205713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one (CID 136543686) is 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one is CC1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCC1(F)F.
What is the InChIKey of 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one?
The InChIKey is DDEZDSAGGOXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-11-10-20(8-6-16(11,17)18)14(22)12-2-4-13(5-3-12)21-9-7-19-15(21)23/h2-5,11H,6-10H2,1H3,(H,19,23).
What are the key properties of 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one?
1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one has a molecular weight of 323.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 136543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).