2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide

C23H23F3N6O3 — CID 135183952

IUPAC2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)Nc1ccccc1
InChIInChI=1S/C23H23F3N6O3/c24-23(25,26)20-30-19(31-35-20)15-9-11-17(12-10-15)29-22(34)32-13-5-4-8-18(32)14-27-21(33)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,29,34)(H2,27,28,33)
InChIKeyKUHWHIMBQDSCGY-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.96
Rot. Bonds5

About 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide

2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide (PubChem CID 135183952) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
PubChem CID135183952
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC Name2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)Nc1ccccc1
InChIInChI=1S/C23H23F3N6O3/c24-23(25,26)20-30-19(31-35-20)15-9-11-17(12-10-15)29-22(34)32-13-5-4-8-18(32)14-27-21(33)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,29,34)(H2,27,28,33)
InChIKeyKUHWHIMBQDSCGY-UHFFFAOYSA-N
XLogP4.96
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoyl]piperidin-2-yl]methyl]benzene-1,4-dicarboxamide
CID 135184016
tert-butyl N-[[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoyl]piperidin-2-yl]methyl]carbamate
CID 140910606
4-(hydroxymethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126769950
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide
CID 134366972
(3R)-3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine-4-carboxamide
CID 135183980
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
4-(1-hydroxyethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126775780
3-(2-methylpropyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 126793429

Frequently Asked Questions

What is the IUPAC name of 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide (CID 135183952) is 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide is O=C(NCC1CCCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide?
The InChIKey is KUHWHIMBQDSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c24-23(25,26)20-30-19(31-35-20)15-9-11-17(12-10-15)29-22(34)32-13-5-4-8-18(32)14-27-21(33)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,29,34)(H2,27,28,33).
What are the key properties of 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide?
2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 135183952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).