N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide

C23H25F3N6O2 — CID 20525942

IUPACN-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)17-6-3-5-16(15-17)22(33)27-18-9-12-32(13-10-18)11-4-14-34-20-8-2-1-7-19(20)21-28-30-31-29-21/h1-3,5-8,15,18H,4,9-14H2,(H,27,33)(H,28,29,30,31)
InChIKeyGEQAVHMPJZOECB-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.55
Rot. Bonds8

About N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide

N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 20525942) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID20525942
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)17-6-3-5-16(15-17)22(33)27-18-9-12-32(13-10-18)11-4-14-34-20-8-2-1-7-19(20)21-28-30-31-29-21/h1-3,5-8,15,18H,4,9-14H2,(H,27,33)(H,28,29,30,31)
InChIKeyGEQAVHMPJZOECB-UHFFFAOYSA-N
XLogP3.55
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide (CID 20525942) is N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide is O=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is GEQAVHMPJZOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c24-23(25,26)17-6-3-5-16(15-17)22(33)27-18-9-12-32(13-10-18)11-4-14-34-20-8-2-1-7-19(20)21-28-30-31-29-21/h1-3,5-8,15,18H,4,9-14H2,(H,27,33)(H,28,29,30,31).
What are the key properties of N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 20525942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).