1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one

C14H17F3N4O — CID 95590464

IUPAC1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-3-4-12(19-8-10)20-6-1-2-11(9-20)21-7-5-18-13(21)22/h3-4,8,11H,1-2,5-7,9H2,(H,18,22)/t11-/m0/s1
InChIKeyMDMBCGUGZRFZPQ-NSHDSACASA-N
MW314.31 g/mol
LogP2.09
Rot. Bonds2

About 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95590464) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95590464
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-3-4-12(19-8-10)20-6-1-2-11(9-20)21-7-5-18-13(21)22/h3-4,8,11H,1-2,5-7,9H2,(H,18,22)/t11-/m0/s1
InChIKeyMDMBCGUGZRFZPQ-NSHDSACASA-N
XLogP2.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133314215
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 95868283
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 47420600

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one (CID 95590464) is 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is MDMBCGUGZRFZPQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)10-3-4-12(19-8-10)20-6-1-2-11(9-20)21-7-5-18-13(21)22/h3-4,8,11H,1-2,5-7,9H2,(H,18,22)/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 314.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95590464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).