1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea

C17H21F3N4O — CID 175826837

IUPAC1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea
SMILESCN1CCC(NC(=O)Nc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C17H21F3N4O/c1-23-8-5-12(6-9-23)21-16(25)22-14-3-2-4-15-13(14)7-10-24(15)11-17(18,19)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H2,21,22,25)
InChIKeyIKMYISVEZXAPBU-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.42
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea

1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea (PubChem CID 175826837) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea
PubChem CID175826837
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea
SMILESCN1CCC(NC(=O)Nc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C17H21F3N4O/c1-23-8-5-12(6-9-23)21-16(25)22-14-3-2-4-15-13(14)7-10-24(15)11-17(18,19)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H2,21,22,25)
InChIKeyIKMYISVEZXAPBU-UHFFFAOYSA-N
XLogP3.42
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
CID 136514705
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
sodium 4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indole-2-carboxylate
CID 157047591
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
CID 47133044
1-(2-tert-butylphenyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49111082
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684912
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 175831235
N-[[7-chloro-1-(2,2,2-trifluoroethyl)indol-5-yl]methyl]-1-methylpiperidin-4-amine
CID 150795999

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea (CID 175826837) is 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea is CN1CCC(NC(=O)Nc2cccc3c2ccn3CC(F)(F)F)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea?
The InChIKey is IKMYISVEZXAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-23-8-5-12(6-9-23)21-16(25)22-14-3-2-4-15-13(14)7-10-24(15)11-17(18,19)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea?
1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea has a molecular weight of 354.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea is sourced from PubChem (CID 175826837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).