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

C24H32F3N3O3 — CID 46931416

IUPACN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1
InChIInChI=1S/C24H32F3N3O3/c25-24(26,27)19-7-5-16(6-8-19)18-13-20(28-22(32)17-3-1-2-4-17)15-30(14-18)23(33)29-11-9-21(31)10-12-29/h5-8,17-18,20-21,31H,1-4,9-15H2,(H,28,32)
InChIKeyGVOASLHWDUQCPS-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.75
Rot. Bonds3

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

N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide (PubChem CID 46931416) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
PubChem CID46931416
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC NameN-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1
InChIInChI=1S/C24H32F3N3O3/c25-24(26,27)19-7-5-16(6-8-19)18-13-20(28-22(32)17-3-1-2-4-17)15-30(14-18)23(33)29-11-9-21(31)10-12-29/h5-8,17-18,20-21,31H,1-4,9-15H2,(H,28,32)
InChIKeyGVOASLHWDUQCPS-UHFFFAOYSA-N
XLogP3.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.75
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]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide (CID 46931416) is N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide is O=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(O)CC2)C1)C1CCCC1.
What is the InChIKey of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is GVOASLHWDUQCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c25-24(26,27)19-7-5-16(6-8-19)18-13-20(28-22(32)17-3-1-2-4-17)15-30(14-18)23(33)29-11-9-21(31)10-12-29/h5-8,17-18,20-21,31H,1-4,9-15H2,(H,28,32).
What are the key properties of N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.75, 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]cyclopentanecarboxamide is sourced from PubChem (CID 46931416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).