2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide

C24H29F3N2O4 — CID 15055945

IUPAC2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCCCOc1ccccc1
InChIInChI=1S/C24H29F3N2O4/c25-24(26,27)17-33-20-10-11-22(32-14-6-13-31-19-8-2-1-3-9-19)21(15-20)23(30)29-16-18-7-4-5-12-28-18/h1-3,8-11,15,18,28H,4-7,12-14,16-17H2,(H,29,30)
InChIKeyQCZDGGRGTNMTKO-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.35
Rot. Bonds11

About 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide

2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 15055945) has the molecular formula C24H29F3N2O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide
PubChem CID15055945
Molecular FormulaC24H29F3N2O4
Molecular Weight466.50 g/mol
Exact Mass466.21
IUPAC Name2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCCCOc1ccccc1
InChIInChI=1S/C24H29F3N2O4/c25-24(26,27)17-33-20-10-11-22(32-14-6-13-31-19-8-2-1-3-9-19)21(15-20)23(30)29-16-18-7-4-5-12-28-18/h1-3,8-11,15,18,28H,4-7,12-14,16-17H2,(H,29,30)
InChIKeyQCZDGGRGTNMTKO-UHFFFAOYSA-N
XLogP4.35
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 23035302
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
5-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055932
5-[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoic acid;hydrochloride
CID 23035281
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
N-(piperidin-2-ylmethyl)-2-(2-piperidin-1-yloxyethoxy)-5-(2,2,2-trifluoroethoxy)benzamide
CID 70374449
[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenyl] acetate
CID 70515248
5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 40582614
[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]-(piperidin-2-ylmethyl)azanium
CID 3355
N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 21447146
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide (CID 15055945) is 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide is O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is QCZDGGRGTNMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O4/c25-24(26,27)17-33-20-10-11-22(32-14-6-13-31-19-8-2-1-3-9-19)21(15-20)23(30)29-16-18-7-4-5-12-28-18/h1-3,8-11,15,18,28H,4-7,12-14,16-17H2,(H,29,30).
What are the key properties of 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide?
2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 466.50 g/mol, XLogP of 4.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 15055945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).