1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea

C18H24F3N3O — CID 126795861

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)11-13-3-5-15(6-4-13)22-17(25)23-16-7-9-24(10-8-16)12-14-1-2-14/h3-6,14,16H,1-2,7-12H2,(H2,22,23,25)
InChIKeyFAVKFGWZYMZTPF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.79
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 126795861) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID126795861
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)11-13-3-5-15(6-4-13)22-17(25)23-16-7-9-24(10-8-16)12-14-1-2-14/h3-6,14,16H,1-2,7-12H2,(H2,22,23,25)
InChIKeyFAVKFGWZYMZTPF-UHFFFAOYSA-N
XLogP3.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-cyclopropyl-1,3-thiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 166189932
1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 99839751
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 45376291
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea (CID 126795861) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea is O=C(Nc1ccc(CC(F)(F)F)cc1)NC1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is FAVKFGWZYMZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)11-13-3-5-15(6-4-13)22-17(25)23-16-7-9-24(10-8-16)12-14-1-2-14/h3-6,14,16H,1-2,7-12H2,(H2,22,23,25).
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea?
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 355.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 126795861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).