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

C24H30N6O4 — CID 646742

IUPAC1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C24H30N6O4/c1-32-18-6-4-16(5-7-18)15-30-24(26-27-28-30)22(29-12-10-17(11-13-29)23(25)31)20-14-19(33-2)8-9-21(20)34-3/h4-9,14,17,22H,10-13,15H2,1-3H3,(H2,25,31)
InChIKeyRYYTURLJZPIIQI-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.03
Rot. Bonds9

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

1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 646742) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID646742
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C24H30N6O4/c1-32-18-6-4-16(5-7-18)15-30-24(26-27-28-30)22(29-12-10-17(11-13-29)23(25)31)20-14-19(33-2)8-9-21(20)34-3/h4-9,14,17,22H,10-13,15H2,1-3H3,(H2,25,31)
InChIKeyRYYTURLJZPIIQI-UHFFFAOYSA-N
XLogP2.03
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 645765
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195
1-(1-{1-[(4-Methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-YL}-3-methylbutyl)piperidine-4-carboxamide
CID 3209951
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 3210027
1-{1-[1-(2H-1,3-Benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-YL]butyl}piperidine-4-carboxamide
CID 3210158
2-{(2,5-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1,2,3,4-tetrahydro-isoquinoline
CID 6602592
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-methyl-piperazine
CID 6603054
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-ethyl-piperazine
CID 6603100
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-piperidine-4-carboxylic acid amide
CID 6603116

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 646742) is 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is RYYTURLJZPIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-32-18-6-4-16(5-7-18)15-30-24(26-27-28-30)22(29-12-10-17(11-13-29)23(25)31)20-14-19(33-2)8-9-21(20)34-3/h4-9,14,17,22H,10-13,15H2,1-3H3,(H2,25,31).
What are the key properties of 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 646742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).