4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C23H29N7O5 — CID 29340627

IUPAC4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H29N7O5/c1-32-18-7-5-17(6-8-18)30-21(25-26-27-30)15-28-9-11-29(12-10-28)23(31)24-16-13-19(33-2)22(35-4)20(14-16)34-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,31)
InChIKeyXDKYCAXIAVLWAS-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.05
Rot. Bonds8

About 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 29340627) has the molecular formula C23H29N7O5 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID29340627
Molecular FormulaC23H29N7O5
Molecular Weight483.53 g/mol
Exact Mass483.22
IUPAC Name4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H29N7O5/c1-32-18-7-5-17(6-8-18)30-21(25-26-27-30)15-28-9-11-29(12-10-28)23(31)24-16-13-19(33-2)22(35-4)20(14-16)34-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,31)
InChIKeyXDKYCAXIAVLWAS-UHFFFAOYSA-N
XLogP2.05
TPSA116.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 30858692
N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340654
[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 30938716
N-(3,5-dimethylphenyl)-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340315
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252
4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 29340361
4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N-(2,3-dimethoxyphenyl)piperazine-1-carboxamide
CID 29340563
ethyl 3-[[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 29340628
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
(Z)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 30937883
3,4,5-trimethoxy-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]aniline
CID 102263409

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 29340627) is 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is XDKYCAXIAVLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O5/c1-32-18-7-5-17(6-8-18)30-21(25-26-27-30)15-28-9-11-29(12-10-28)23(31)24-16-13-19(33-2)22(35-4)20(14-16)34-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,31).
What are the key properties of 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 29340627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).