2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide

C21H24N6O2 — CID 50777039

IUPAC2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(-n3cnnn3)ccc2N2CCCCC2)c1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-5-6-16(12-18)13-21(28)23-19-14-17(27-15-22-24-25-27)8-9-20(19)26-10-3-2-4-11-26/h5-9,12,14-15H,2-4,10-11,13H2,1H3,(H,23,28)
InChIKeyFPHMOGCSGNHICQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.84
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide

2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 50777039) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID50777039
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(-n3cnnn3)ccc2N2CCCCC2)c1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-5-6-16(12-18)13-21(28)23-19-14-17(27-15-22-24-25-27)8-9-20(19)26-10-3-2-4-11-26/h5-9,12,14-15H,2-4,10-11,13H2,1H3,(H,23,28)
InChIKeyFPHMOGCSGNHICQ-UHFFFAOYSA-N
XLogP2.84
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50778531
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
CID 53189929

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide (CID 50777039) is 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide is COc1cccc(CC(=O)Nc2cc(-n3cnnn3)ccc2N2CCCCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FPHMOGCSGNHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-18-7-5-6-16(12-18)13-21(28)23-19-14-17(27-15-22-24-25-27)8-9-20(19)26-10-3-2-4-11-26/h5-9,12,14-15H,2-4,10-11,13H2,1H3,(H,23,28).
What are the key properties of 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 50777039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).