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

C21H30N6O3 — CID 645765

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H30N6O3/c1-29-16-7-8-17(18(13-16)30-2)19(26-11-9-14(10-12-26)20(22)28)21-23-24-25-27(21)15-5-3-4-6-15/h7-8,13-15,19H,3-6,9-12H2,1-2H3,(H2,22,28)
InChIKeyQQZZDZQSIIKNBJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.09
Rot. Bonds7

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

1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 645765) has the molecular formula C21H30N6O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID645765
Molecular FormulaC21H30N6O3
Molecular Weight414.51 g/mol
Exact Mass414.24
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H30N6O3/c1-29-16-7-8-17(18(13-16)30-2)19(26-11-9-14(10-12-26)20(22)28)21-23-24-25-27(21)15-5-3-4-6-15/h7-8,13-15,19H,3-6,9-12H2,1-2H3,(H2,22,28)
InChIKeyQQZZDZQSIIKNBJ-UHFFFAOYSA-N
XLogP2.09
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209951
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-4-methyl-piperazine
CID 6603089
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-piperidine-4-carboxylic acid amide
CID 6603116
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 6603172
1-[(2,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperidine-4-carboxylic acid amide
CID 646962
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 9549402
1-{(2,5-Dimethoxy-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 646742
1-{(2,3-Dimethoxy-phenyl)-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 655410
1-[[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 656301
1-[(1-Cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201726

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 645765) is 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QQZZDZQSIIKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3/c1-29-16-7-8-17(18(13-16)30-2)19(26-11-9-14(10-12-26)20(22)28)21-23-24-25-27(21)15-5-3-4-6-15/h7-8,13-15,19H,3-6,9-12H2,1-2H3,(H2,22,28).
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 645765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).