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

C23H28N6O3 — CID 654515

IUPAC1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C23H28N6O3/c1-31-18-8-9-20(32-2)19(14-18)21(28-12-10-17(11-13-28)22(24)30)23-25-26-27-29(23)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3,(H2,24,30)
InChIKeyJRZNPKKCBNAVPD-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.03
Rot. Bonds8

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

1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 654515) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID654515
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C23H28N6O3/c1-31-18-8-9-20(32-2)19(14-18)21(28-12-10-17(11-13-28)22(24)30)23-25-26-27-29(23)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3,(H2,24,30)
InChIKeyJRZNPKKCBNAVPD-UHFFFAOYSA-N
XLogP2.03
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 654515) is 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JRZNPKKCBNAVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-31-18-8-9-20(32-2)19(14-18)21(28-12-10-17(11-13-28)22(24)30)23-25-26-27-29(23)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3,(H2,24,30).
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 654515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).