N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide

C18H25FN6O3 — CID 19902280

IUPACN-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide
SMILESCOC1CN(CCn2ncnn2)CCC1CON(C(C)=O)c1ccccc1F
InChIInChI=1S/C18H25FN6O3/c1-14(26)25(17-6-4-3-5-16(17)19)28-12-15-7-8-23(11-18(15)27-2)9-10-24-21-13-20-22-24/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyIAXKOGBCDIYFKF-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.13
Rot. Bonds8

About N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide

N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide (PubChem CID 19902280) has the molecular formula C18H25FN6O3 and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide
PubChem CID19902280
Molecular FormulaC18H25FN6O3
Molecular Weight392.44 g/mol
Exact Mass392.20
IUPAC NameN-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide
SMILESCOC1CN(CCn2ncnn2)CCC1CON(C(C)=O)c1ccccc1F
InChIInChI=1S/C18H25FN6O3/c1-14(26)25(17-6-4-3-5-16(17)19)28-12-15-7-8-23(11-18(15)27-2)9-10-24-21-13-20-22-24/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyIAXKOGBCDIYFKF-UHFFFAOYSA-N
XLogP1.13
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide (CID 19902280) is N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide is COC1CN(CCn2ncnn2)CCC1CON(C(C)=O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide?
The InChIKey is IAXKOGBCDIYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O3/c1-14(26)25(17-6-4-3-5-16(17)19)28-12-15-7-8-23(11-18(15)27-2)9-10-24-21-13-20-22-24/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide?
N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide has a molecular weight of 392.44 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide is sourced from PubChem (CID 19902280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).