1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide

C22H26N6O2 — CID 92613775

IUPAC1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-16-24-25-26-28(16)20-5-3-4-19(14-20)23-22(29)18-10-12-27(13-11-18)15-17-6-8-21(30-2)9-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyBRJIGSFWLXLWBK-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.83
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 92613775) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID92613775
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-16-24-25-26-28(16)20-5-3-4-19(14-20)23-22(29)18-10-12-27(13-11-18)15-17-6-8-21(30-2)9-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyBRJIGSFWLXLWBK-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55676971
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
1-cyclopentyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 131937197

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 92613775) is 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BRJIGSFWLXLWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-24-25-26-28(16)20-5-3-4-19(14-20)23-22(29)18-10-12-27(13-11-18)15-17-6-8-21(30-2)9-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 92613775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).