1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

C13H16F3N3O — CID 104645603

IUPAC1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCNC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-1-4-10(7-9)18-12(20)19-11-5-2-6-17-8-11/h1,3-4,7,11,17H,2,5-6,8H2,(H2,18,19,20)/t11-/m1/s1
InChIKeyISTQHTJHUQDHIU-LLVKDONJSA-N
MW287.28 g/mol
LogP2.58
Rot. Bonds2

About 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 104645603) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID104645603
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCNC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-1-4-10(7-9)18-12(20)19-11-5-2-6-17-8-11/h1,3-4,7,11,17H,2,5-6,8H2,(H2,18,19,20)/t11-/m1/s1
InChIKeyISTQHTJHUQDHIU-LLVKDONJSA-N
XLogP2.58
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylurea
CID 165430468
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 74233216

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 104645603) is 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCNC1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ISTQHTJHUQDHIU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-3-1-4-10(7-9)18-12(20)19-11-5-2-6-17-8-11/h1,3-4,7,11,17H,2,5-6,8H2,(H2,18,19,20)/t11-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 287.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 104645603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).