4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide

C24H28F3N3O2 — CID 91916446

IUPAC4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28F3N3O2/c25-21-14-18(15-22(26)23(21)27)28-24(31)30-12-8-20(9-13-30)32-19-6-10-29(11-7-19)16-17-4-2-1-3-5-17/h1-5,14-15,19-20H,6-13,16H2,(H,28,31)
InChIKeyGEFRUIIEJUVVPE-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.78
Rot. Bonds5

About 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide

4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 91916446) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
PubChem CID91916446
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28F3N3O2/c25-21-14-18(15-22(26)23(21)27)28-24(31)30-12-8-20(9-13-30)32-19-6-10-29(11-7-19)16-17-4-2-1-3-5-17/h1-5,14-15,19-20H,6-13,16H2,(H,28,31)
InChIKeyGEFRUIIEJUVVPE-UHFFFAOYSA-N
XLogP4.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
1-(3-Fluorophenyl)-3-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3218129
1-(1-Benzylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 3848011
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316
3-[3-(Morpholin-4-yl)propyl]-1-(4-{[4-({[3-(morpholin-4-yl)propyl]carbamoyl}amino)phenyl]methyl}phenyl)urea
CID 330452
N-(1-benzyl-4-piperidinyl)-N'-(4-fluorophenyl)urea
CID 6465310
N-(1-benzyl-4-piperidinyl)-N'-(3-fluorophenyl)urea
CID 6471104
1-(2''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831057
1-(4''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831058
9-(2,2-dimethylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212942
9-(2-cyclopropylacetyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212943
1-Benzyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696274

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide (CID 91916446) is 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is GEFRUIIEJUVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-21-14-18(15-22(26)23(21)27)28-24(31)30-12-8-20(9-13-30)32-19-6-10-29(11-7-19)16-17-4-2-1-3-5-17/h1-5,14-15,19-20H,6-13,16H2,(H,28,31).
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91916446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).