2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide

C17H22N6O4 — CID 72926932

IUPAC2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C17H22N6O4/c1-26-11-16(24)23-8-6-12(7-9-23)27-14-5-3-2-4-13(14)17(25)18-10-15-19-21-22-20-15/h2-5,12H,6-11H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyUGNBAUGMENIJCM-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.15
Rot. Bonds7

About 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide

2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 72926932) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID72926932
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C17H22N6O4/c1-26-11-16(24)23-8-6-12(7-9-23)27-14-5-3-2-4-13(14)17(25)18-10-15-19-21-22-20-15/h2-5,12H,6-11H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyUGNBAUGMENIJCM-UHFFFAOYSA-N
XLogP0.15
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42508020
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72844684
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42241404
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827723
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
CID 72885997
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72925930
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 72926932) is 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide is COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nn[nH]n2)CC1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is UGNBAUGMENIJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-26-11-16(24)23-8-6-12(7-9-23)27-14-5-3-2-4-13(14)17(25)18-10-15-19-21-22-20-15/h2-5,12H,6-11H2,1H3,(H,18,25)(H,19,20,21,22).
What are the key properties of 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 72926932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).