formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C20H30N6O4 — CID 154915325

IUPACformic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)cc(-n2cnnn2)c1.O=CO
InChIInChI=1S/C19H28N6O2.CH2O2/c1-18(2)10-13(11-19(3,4)22-18)6-17(26)21-14-7-15(9-16(8-14)27-5)25-12-20-23-24-25;2-1-3/h7-9,12-13,22H,6,10-11H2,1-5H3,(H,21,26);1H,(H,2,3)
InChIKeyUNXXDCOFCKDVAY-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.26
Rot. Bonds5

About formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 154915325) has the molecular formula C20H30N6O4 and a molecular weight of 418.50 g/mol. Its IUPAC name is formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Nameformic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID154915325
Molecular FormulaC20H30N6O4
Molecular Weight418.50 g/mol
Exact Mass418.23
IUPAC Nameformic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)cc(-n2cnnn2)c1.O=CO
InChIInChI=1S/C19H28N6O2.CH2O2/c1-18(2)10-13(11-19(3,4)22-18)6-17(26)21-14-7-15(9-16(8-14)27-5)25-12-20-23-24-25;2-1-3/h7-9,12-13,22H,6,10-11H2,1-5H3,(H,21,26);1H,(H,2,3)
InChIKeyUNXXDCOFCKDVAY-UHFFFAOYSA-N
XLogP2.26
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
5-fluoro-2-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68666188
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
5-[[3-methoxy-5-(tetrazol-1-yl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537750
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97437208

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 154915325) is formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is COc1cc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)cc(-n2cnnn2)c1.O=CO.
What is the InChIKey of formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is UNXXDCOFCKDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.CH2O2/c1-18(2)10-13(11-19(3,4)22-18)6-17(26)21-14-7-15(9-16(8-14)27-5)25-12-20-23-24-25;2-1-3/h7-9,12-13,22H,6,10-11H2,1-5H3,(H,21,26);1H,(H,2,3).
What are the key properties of formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 154915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).