1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea

C14H18F3N3O — CID 107585253

IUPAC1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC1CNCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3N3O/c1-9-6-12(8-18-7-9)20-13(21)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H2,19,20,21)
InChIKeyOOTYPOSICACNTG-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.82
Rot. Bonds2

About 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 107585253) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID107585253
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC1CNCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3N3O/c1-9-6-12(8-18-7-9)20-13(21)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H2,19,20,21)
InChIKeyOOTYPOSICACNTG-UHFFFAOYSA-N
XLogP2.82
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-[(3S,7S,8aS)-3-methyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 56859332
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
CID 143831234
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
1-cyclopentyl-3-(5-methylpiperidin-3-yl)urea
CID 107585278
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
CID 107585044

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 107585253) is 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC1CNCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is OOTYPOSICACNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-6-12(8-18-7-9)20-13(21)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 301.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 107585253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).