N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide

C20H31FN6O2 — CID 23324765

IUPACN-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCCN1CN(CCN2CCC(N(OCc3ccccc3F)C(C)=O)C(C)C2)N=N1
InChIInChI=1S/C20H31FN6O2/c1-4-25-15-26(23-22-25)12-11-24-10-9-20(16(2)13-24)27(17(3)28)29-14-18-7-5-6-8-19(18)21/h5-8,16,20H,4,9-15H2,1-3H3
InChIKeyJYJIBDWYCGBHLI-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.69
Rot. Bonds8

About N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide

N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide (PubChem CID 23324765) has the molecular formula C20H31FN6O2 and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
PubChem CID23324765
Molecular FormulaC20H31FN6O2
Molecular Weight406.51 g/mol
Exact Mass406.25
IUPAC NameN-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCCN1CN(CCN2CCC(N(OCc3ccccc3F)C(C)=O)C(C)C2)N=N1
InChIInChI=1S/C20H31FN6O2/c1-4-25-15-26(23-22-25)12-11-24-10-9-20(16(2)13-24)27(17(3)28)29-14-18-7-5-6-8-19(18)21/h5-8,16,20H,4,9-15H2,1-3H3
InChIKeyJYJIBDWYCGBHLI-UHFFFAOYSA-N
XLogP2.69
TPSA63.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methoxy]-N-(3-methylpiperidin-4-yl)acetamide
CID 23324865
1-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 59028253
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 67047291
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 67904546
N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
CID 173419203
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-[4-[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837858
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377102
N-[(3S,4R)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]-N-(2-fluorophenyl)propanamide
CID 54312079
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide (CID 23324765) is N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide is CCN1CN(CCN2CCC(N(OCc3ccccc3F)C(C)=O)C(C)C2)N=N1.
What is the InChIKey of N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
The InChIKey is JYJIBDWYCGBHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN6O2/c1-4-25-15-26(23-22-25)12-11-24-10-9-20(16(2)13-24)27(17(3)28)29-14-18-7-5-6-8-19(18)21/h5-8,16,20H,4,9-15H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide?
N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide has a molecular weight of 406.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 23324765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).