[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C15H21F3N4O2 — CID 100704694

IUPAC[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCO[C@@H]1CN[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1
InChIInChI=1S/C15H21F3N4O2/c1-24-10-6-11(19-7-10)14(23)22-4-2-9(3-5-22)13-20-8-12(21-13)15(16,17)18/h8-11,19H,2-7H2,1H3,(H,20,21)/t10-,11+/m0/s1
InChIKeyLRYZCHXLZWSAPM-WDEREUQCSA-N
MW346.35 g/mol
LogP1.51
Rot. Bonds3

About [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 100704694) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID100704694
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCO[C@@H]1CN[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1
InChIInChI=1S/C15H21F3N4O2/c1-24-10-6-11(19-7-10)14(23)22-4-2-9(3-5-22)13-20-8-12(21-13)15(16,17)18/h8-11,19H,2-7H2,1H3,(H,20,21)/t10-,11+/m0/s1
InChIKeyLRYZCHXLZWSAPM-WDEREUQCSA-N
XLogP1.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 86791067
(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 164633301
tert-butyl (3S,4R)-3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylate
CID 68414842
tert-butyl 3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylate
CID 68414844
(3S,4R)-3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418210
3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418214
tert-Butyl cis(+/-)-4-{[(4-trifluoromethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidine-1-carboxylate
CID 86648477
(3R,4S)-3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 140196538
N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 141335246
1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 71999805
(3S)-1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 97572627
(3R)-1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 97572628

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 100704694) is [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is CO[C@@H]1CN[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1.
What is the InChIKey of [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LRYZCHXLZWSAPM-WDEREUQCSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-24-10-6-11(19-7-10)14(23)22-4-2-9(3-5-22)13-20-8-12(21-13)15(16,17)18/h8-11,19H,2-7H2,1H3,(H,20,21)/t10-,11+/m0/s1.
What are the key properties of [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
[(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methoxypyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 100704694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).