1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea

C15H26F3N3O2 — CID 99827527

IUPAC1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESC[C@]1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCCO1
InChIInChI=1S/C15H26F3N3O2/c1-14(5-2-8-23-14)10-20-13(22)19-9-12-3-6-21(7-4-12)11-15(16,17)18/h12H,2-11H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyAXHUHFYYANVISM-CQSZACIVSA-N
MW337.39 g/mol
LogP2.13
Rot. Bonds5

About 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea

1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (PubChem CID 99827527) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
PubChem CID99827527
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESC[C@]1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCCO1
InChIInChI=1S/C15H26F3N3O2/c1-14(5-2-8-23-14)10-20-13(22)19-9-12-3-6-21(7-4-12)11-15(16,17)18/h12H,2-11H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyAXHUHFYYANVISM-CQSZACIVSA-N
XLogP2.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111104052
1-[[(2R)-2-methylthiolan-2-yl]methyl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 97090578
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119047742
2-methoxy-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]propanoic acid
CID 114144739
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (CID 99827527) is 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is C[C@]1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCCO1.
What is the InChIKey of 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The InChIKey is AXHUHFYYANVISM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-14(5-2-8-23-14)10-20-13(22)19-9-12-3-6-21(7-4-12)11-15(16,17)18/h12H,2-11H2,1H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea has a molecular weight of 337.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 99827527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).