N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C24H27F3N2O2 — CID 24859388

IUPACN-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31H,11-16H2,1H3
InChIKeyDINSRDURGDPVAP-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.73
Rot. Bonds5

About N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 24859388) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID24859388
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(c3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31H,11-16H2,1H3
InChIKeyDINSRDURGDPVAP-UHFFFAOYSA-N
XLogP4.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 24859388) is N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(c3ccccc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is DINSRDURGDPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)18-9-7-17(8-10-18)22(30)29(20-11-12-20)21-13-15-28(16-14-21)19-5-3-2-4-6-19/h2-10,20-21,31H,11-16H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 432.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 24859388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).