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

C14H24F3N3O — CID 86817447

IUPAC1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-5-11(6-8-20)9-18-13(21)19-12-3-1-2-4-12/h11-12H,1-10H2,(H2,18,19,21)
InChIKeyOQLNIVXJEOBMBQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.50
Rot. Bonds4

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

1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (PubChem CID 86817447) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
PubChem CID86817447
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-5-11(6-8-20)9-18-13(21)19-12-3-1-2-4-12/h11-12H,1-10H2,(H2,18,19,21)
InChIKeyOQLNIVXJEOBMBQ-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
CID 99823226
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827527
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 126795613
1-[(1-propylpiperidin-4-yl)methyl]-3-(thian-3-yl)urea
CID 71862994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea (CID 86817447) is 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is O=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
The InChIKey is OQLNIVXJEOBMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-5-11(6-8-20)9-18-13(21)19-12-3-1-2-4-12/h11-12H,1-10H2,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea?
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea has a molecular weight of 307.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 86817447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).