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

C21H23FN6O — CID 69100605

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)14-20(29)23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16H,8-12,14H2,(H,23,29)(H,24,25,26,27)
InChIKeyNLRIRMIINZLQRD-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.90
Rot. Bonds6

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

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 69100605) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID69100605
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)14-20(29)23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16H,8-12,14H2,(H,23,29)(H,24,25,26,27)
InChIKeyNLRIRMIINZLQRD-UHFFFAOYSA-N
XLogP2.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 167986639
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-[3-(2H-tetrazol-5-yl)anilino]ethanone
CID 69100873
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10293256
N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
CID 69100448
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
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
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 69100605) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is NLRIRMIINZLQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c22-18-6-4-15(5-7-18)12-16-8-10-28(11-9-16)14-20(29)23-19-3-1-2-17(13-19)21-24-26-27-25-21/h1-7,13,16H,8-12,14H2,(H,23,29)(H,24,25,26,27).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 69100605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).