N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide

C18H23F3N2O2 — CID 166176272

IUPACN-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-10-13(12-5-7-22-8-6-12)9-14(11-16)17(24)23-15-3-1-2-4-15/h9-12,15,22H,1-8H2,(H,23,24)
InChIKeyRXLXUNVQKOZYAX-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide

N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide (PubChem CID 166176272) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
PubChem CID166176272
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-10-13(12-5-7-22-8-6-12)9-14(11-16)17(24)23-15-3-1-2-4-15/h9-12,15,22H,1-8H2,(H,23,24)
InChIKeyRXLXUNVQKOZYAX-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The IUPAC name of N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide (CID 166176272) is N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The canonical SMILES for N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide is O=C(NC1CCCC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1.
What is the InChIKey of N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The InChIKey is RXLXUNVQKOZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-10-13(12-5-7-22-8-6-12)9-14(11-16)17(24)23-15-3-1-2-4-15/h9-12,15,22H,1-8H2,(H,23,24).
What are the key properties of N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166176272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).