1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea

C17H24F3N3O2 — CID 167747797

IUPAC1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CCN(CCO)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-12(14-4-2-3-5-15(14)17(18,19)20)21-16(25)22-13-6-8-23(9-7-13)10-11-24/h2-5,12-13,24H,6-11H2,1H3,(H2,21,22,25)
InChIKeyPQLAKEMPBTXDPV-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea

1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 167747797) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID167747797
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CCN(CCO)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-12(14-4-2-3-5-15(14)17(18,19)20)21-16(25)22-13-6-8-23(9-7-13)10-11-24/h2-5,12-13,24H,6-11H2,1H3,(H2,21,22,25)
InChIKeyPQLAKEMPBTXDPV-UHFFFAOYSA-N
XLogP2.52
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 71920819
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 115672845
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide
CID 143904359
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
CID 99926183
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95282642
1-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 167747797) is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NC1CCN(CCO)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is PQLAKEMPBTXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-12(14-4-2-3-5-15(14)17(18,19)20)21-16(25)22-13-6-8-23(9-7-13)10-11-24/h2-5,12-13,24H,6-11H2,1H3,(H2,21,22,25).
What are the key properties of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 359.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 167747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).