N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide

C24H25F3N2O3 — CID 50847004

IUPACN-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)21-9-2-1-8-20(21)23(31)29-12-4-5-16(14-29)15-32-19-7-3-6-17(13-19)22(30)28-18-10-11-18/h1-3,6-9,13,16,18H,4-5,10-12,14-15H2,(H,28,30)
InChIKeyDUZHJCKLXFXFSO-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.53
Rot. Bonds6

About N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 50847004) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
PubChem CID50847004
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC NameN-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)21-9-2-1-8-20(21)23(31)29-12-4-5-16(14-29)15-32-19-7-3-6-17(13-19)22(30)28-18-10-11-18/h1-3,6-9,13,16,18H,4-5,10-12,14-15H2,(H,28,30)
InChIKeyDUZHJCKLXFXFSO-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide (CID 50847004) is N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1cccc(OCC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1.
What is the InChIKey of N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is DUZHJCKLXFXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c25-24(26,27)21-9-2-1-8-20(21)23(31)29-12-4-5-16(14-29)15-32-19-7-3-6-17(13-19)22(30)28-18-10-11-18/h1-3,6-9,13,16,18H,4-5,10-12,14-15H2,(H,28,30).
What are the key properties of N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide has a molecular weight of 446.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 50847004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).