1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

C19H28N6O4 — CID 3209356

IUPAC1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O4/c1-27-11-10-25-19(21-22-23-25)17(24-8-6-13(7-9-24)18(20)26)15-5-4-14(28-2)12-16(15)29-3/h4-5,12-13,17H,6-11H2,1-3H3,(H2,20,26)
InChIKeyQVEVKBOOMJPOHO-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.62
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 3209356) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID3209356
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC Name1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O4/c1-27-11-10-25-19(21-22-23-25)17(24-8-6-13(7-9-24)18(20)26)15-5-4-14(28-2)12-16(15)29-3/h4-5,12-13,17H,6-11H2,1-3H3,(H2,20,26)
InChIKeyQVEVKBOOMJPOHO-UHFFFAOYSA-N
XLogP0.62
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 645765
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-{(2,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 649413
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209951
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-piperidine-4-carboxylic acid amide
CID 6603116
1-[(2,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperidine-4-carboxylic acid amide
CID 646962
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 9549402
1-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 645560
1-{(2,5-Dimethoxy-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 646742
1-[[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 656301
1-[(1-Cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201726

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 3209356) is 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QVEVKBOOMJPOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-27-11-10-25-19(21-22-23-25)17(24-8-6-13(7-9-24)18(20)26)15-5-4-14(28-2)12-16(15)29-3/h4-5,12-13,17H,6-11H2,1-3H3,(H2,20,26).
What are the key properties of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 0.62, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3209356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).