1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide

C17H22N6O4 — CID 131889995

IUPAC1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H22N6O4/c1-2-26-11-15(24)23-9-7-12(8-10-23)16(25)18-13-3-5-14(6-4-13)27-17-19-21-22-20-17/h3-6,12H,2,7-11H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyYTHHAWRJUTZQJX-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.21
Rot. Bonds7

About 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide

1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide (PubChem CID 131889995) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide
PubChem CID131889995
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H22N6O4/c1-2-26-11-15(24)23-9-7-12(8-10-23)16(25)18-13-3-5-14(6-4-13)27-17-19-21-22-20-17/h3-6,12H,2,7-11H2,1H3,(H,18,25)(H,19,20,21,22)
InChIKeyYTHHAWRJUTZQJX-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
1-(2-ethoxyacetyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 131922240
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 87033981

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide (CID 131889995) is 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide is CCOCC(=O)N1CCC(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1.
What is the InChIKey of 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide?
The InChIKey is YTHHAWRJUTZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-2-26-11-15(24)23-9-7-12(8-10-23)16(25)18-13-3-5-14(6-4-13)27-17-19-21-22-20-17/h3-6,12H,2,7-11H2,1H3,(H,18,25)(H,19,20,21,22).
What are the key properties of 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide?
1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 131889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).