1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C23H29ClN6O3 — CID 171668401

IUPAC1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1OC.Cl
InChIInChI=1S/C23H28N6O3.ClH/c1-31-19-9-8-18(14-20(19)32-2)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);1H
InChIKeyZDSONLLJLWIQHA-UHFFFAOYSA-N
MW472.98 g/mol
LogP2.45
Rot. Bonds8

About 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 171668401) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID171668401
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1OC.Cl
InChIInChI=1S/C23H28N6O3.ClH/c1-31-19-9-8-18(14-20(19)32-2)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);1H
InChIKeyZDSONLLJLWIQHA-UHFFFAOYSA-N
XLogP2.45
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 51625873
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1446928
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
2-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433685
1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 7382888
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 171668401) is 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1OC.Cl.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZDSONLLJLWIQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3.ClH/c1-31-19-9-8-18(14-20(19)32-2)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);1H.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 472.98 g/mol, XLogP of 2.45, 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)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 171668401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).