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

C15H21F3N4O2 — CID 120800940

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)O1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)12-8-20-13(21-12)9-3-5-22(6-4-9)14(23)11-2-1-10(7-19)24-11/h8-11H,1-7,19H2,(H,20,21)/t10-,11+/m1/s1
InChIKeyGWKDDPGIJWHMLE-MNOVXSKESA-N
MW346.35 g/mol
LogP1.64
Rot. Bonds3

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 120800940) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID120800940
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)O1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)12-8-20-13(21-12)9-3-5-22(6-4-9)14(23)11-2-1-10(7-19)24-11/h8-11H,1-7,19H2,(H,20,21)/t10-,11+/m1/s1
InChIKeyGWKDDPGIJWHMLE-MNOVXSKESA-N
XLogP1.64
TPSA84.24 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 120800940) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is NC[C@H]1CC[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is GWKDDPGIJWHMLE-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)12-8-20-13(21-12)9-3-5-22(6-4-9)14(23)11-2-1-10(7-19)24-11/h8-11H,1-7,19H2,(H,20,21)/t10-,11+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 120800940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).