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

C21H23FN6O2 — CID 167986639

IUPAC2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CN1CCC(OCc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H23FN6O2/c22-17-6-4-15(5-7-17)14-30-19-8-10-28(11-9-19)13-20(29)23-18-3-1-2-16(12-18)21-24-26-27-25-21/h1-7,12,19H,8-11,13-14H2,(H,23,29)(H,24,25,26,27)
InChIKeyUNUOPDFZOVOGLH-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.63
Rot. Bonds7

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

2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 167986639) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID167986639
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CN1CCC(OCc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H23FN6O2/c22-17-6-4-15(5-7-17)14-30-19-8-10-28(11-9-19)13-20(29)23-18-3-1-2-16(12-18)21-24-26-27-25-21/h1-7,12,19H,8-11,13-14H2,(H,23,29)(H,24,25,26,27)
InChIKeyUNUOPDFZOVOGLH-UHFFFAOYSA-N
XLogP2.63
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 69100605
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
CID 69100873
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
CID 167884555
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 9324140
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 167986639) is 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(CN1CCC(OCc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is UNUOPDFZOVOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c22-17-6-4-15(5-7-17)14-30-19-8-10-28(11-9-19)13-20(29)23-18-3-1-2-16(12-18)21-24-26-27-25-21/h1-7,12,19H,8-11,13-14H2,(H,23,29)(H,24,25,26,27).
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 167986639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).