2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide

C21H23FN6O2 — CID 131945222

IUPAC2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H23FN6O2/c1-30-19-13-17(28-14-23-25-26-28)9-10-18(19)24-21(29)20(27-11-3-2-4-12-27)15-5-7-16(22)8-6-15/h5-10,13-14,20H,2-4,11-12H2,1H3,(H,24,29)
InChIKeyOPIZBOBCTCDAAH-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide

2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 131945222) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID131945222
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H23FN6O2/c1-30-19-13-17(28-14-23-25-26-28)9-10-18(19)24-21(29)20(27-11-3-2-4-12-27)15-5-7-16(22)8-6-15/h5-10,13-14,20H,2-4,11-12H2,1H3,(H,24,29)
InChIKeyOPIZBOBCTCDAAH-UHFFFAOYSA-N
XLogP2.98
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
(2R)-2-amino-N-[3-methoxy-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide
CID 117800438
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
2-Acetylamino-3-(3-methoxy-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 3232426
1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 25396107
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
CID 1439460
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-(3-methoxy-4-tetrazol-1-yl-phenyl)-acetamide
CID 1448497
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1448653
N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide
CID 3190977
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224419
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 75260387

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide (CID 131945222) is 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide is COc1cc(-n2cnnn2)ccc1NC(=O)C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is OPIZBOBCTCDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-30-19-13-17(28-14-23-25-26-28)9-10-18(19)24-21(29)20(27-11-3-2-4-12-27)15-5-7-16(22)8-6-15/h5-10,13-14,20H,2-4,11-12H2,1H3,(H,24,29).
What are the key properties of 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide?
2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 410.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 131945222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).