4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C17H18F3N3O2 — CID 24744859

IUPAC4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)25-15-5-3-13(4-6-15)21-16(24)23-11-7-14(8-12-23)22-9-1-2-10-22/h1-6,9-10,14H,7-8,11-12H2,(H,21,24)
InChIKeyVWASPBPUXCRHTH-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.26
Rot. Bonds3

About 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 24744859) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID24744859
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)25-15-5-3-13(4-6-15)21-16(24)23-11-7-14(8-12-23)22-9-1-2-10-22/h1-6,9-10,14H,7-8,11-12H2,(H,21,24)
InChIKeyVWASPBPUXCRHTH-UHFFFAOYSA-N
XLogP4.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44468933
1-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409069
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(4-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6465574
N-[4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]acetamide chloride
CID 16188723
N-[4-(difluoromethoxy)phenyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide chloride
CID 16241978
3-Ethyl-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412875
1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44469062
3-(pyridin-4-yl)-N-(2-(trifluoromethoxy)benzyl)pyrrolidine-1-carboxamide
CID 46891217
1-(4-Phenoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 52358357

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 24744859) is 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(n2cccc2)CC1.
What is the InChIKey of 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is VWASPBPUXCRHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)25-15-5-3-13(4-6-15)21-16(24)23-11-7-14(8-12-23)22-9-1-2-10-22/h1-6,9-10,14H,7-8,11-12H2,(H,21,24).
What are the key properties of 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24744859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).