1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

C16H20N6O3 — CID 131892715

IUPAC1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N6O3/c1-11(23)21-7-5-12(6-8-21)16(24)18-14-4-3-13(9-15(14)25-2)22-10-17-19-20-22/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,24)
InChIKeyPIZWQESZOHMKKI-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.87
Rot. Bonds4

About 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 131892715) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID131892715
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N6O3/c1-11(23)21-7-5-12(6-8-21)16(24)18-14-4-3-13(9-15(14)25-2)22-10-17-19-20-22/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,24)
InChIKeyPIZWQESZOHMKKI-UHFFFAOYSA-N
XLogP0.87
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 131892715) is 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is COc1cc(-n2cnnn2)ccc1NC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is PIZWQESZOHMKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11(23)21-7-5-12(6-8-21)16(24)18-14-4-3-13(9-15(14)25-2)22-10-17-19-20-22/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,24).
What are the key properties of 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 131892715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).