N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

C25H28F3N3O3 — CID 66761314

IUPACN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)c1ccccc1
InChIInChI=1S/C25H28F3N3O3/c26-25(27,28)20-8-6-17(7-9-20)19-14-21(29-23(33)18-4-2-1-3-5-18)16-31(15-19)24(34)30-12-10-22(32)11-13-30/h1-9,19,21-22,32H,10-16H2,(H,29,33)
InChIKeyDTCPPZDEDPLHNA-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.87
Rot. Bonds3

About N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (PubChem CID 66761314) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
PubChem CID66761314
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC NameN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)c1ccccc1
InChIInChI=1S/C25H28F3N3O3/c26-25(27,28)20-8-6-17(7-9-20)19-14-21(29-23(33)18-4-2-1-3-5-18)16-31(15-19)24(34)30-12-10-22(32)11-13-30/h1-9,19,21-22,32H,10-16H2,(H,29,33)
InChIKeyDTCPPZDEDPLHNA-UHFFFAOYSA-N
XLogP3.87
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (CID 66761314) is N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is O=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)c1ccccc1.
What is the InChIKey of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The InChIKey is DTCPPZDEDPLHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c26-25(27,28)20-8-6-17(7-9-20)19-14-21(29-23(33)18-4-2-1-3-5-18)16-31(15-19)24(34)30-12-10-22(32)11-13-30/h1-9,19,21-22,32H,10-16H2,(H,29,33).
What are the key properties of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide has a molecular weight of 475.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 66761314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).