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

C21H26N6O3S — CID 646962

IUPAC1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)
InChIKeyFCEFASGZQIGIQW-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.09
Rot. Bonds8

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

1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 646962) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID646962
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)
InChIKeyFCEFASGZQIGIQW-UHFFFAOYSA-N
XLogP2.09
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

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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-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-thiomorpholine
CID 651340
3,5-Dimethoxy-N-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-benzamide
CID 653642
7-(2,4-Dimethoxyphenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3325616
7-(2,4-Dimethoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4994212
1-[(2-Methoxyphenyl)methyl]-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 650185
1-[[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 3193552
1-[[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-3-methylpiperidine
CID 3193575
1-[(2,4-Dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209356
1-[(1-Benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3209740
1-Ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210317

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 646962) is 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(C(c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FCEFASGZQIGIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28).
What are the key properties of 1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 2.09, 8 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-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 646962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).