4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid

C19H26N6O4 — CID 141407264

IUPAC4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2nnnc2CCCC(=O)NC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C19H26N6O4/c1-29-16-7-5-14(6-8-16)13-25-17(21-22-23-25)3-2-4-18(26)20-15-9-11-24(12-10-15)19(27)28/h5-8,15H,2-4,9-13H2,1H3,(H,20,26)(H,27,28)
InChIKeyHSPDJQCRXZHPSO-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.31
Rot. Bonds8

About 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid

4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid (PubChem CID 141407264) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid
PubChem CID141407264
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2nnnc2CCCC(=O)NC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C19H26N6O4/c1-29-16-7-5-14(6-8-16)13-25-17(21-22-23-25)3-2-4-18(26)20-15-9-11-24(12-10-15)19(27)28/h5-8,15H,2-4,9-13H2,1H3,(H,20,26)(H,27,28)
InChIKeyHSPDJQCRXZHPSO-UHFFFAOYSA-N
XLogP1.31
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid (CID 141407264) is 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid is COc1ccc(Cn2nnnc2CCCC(=O)NC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid?
The InChIKey is HSPDJQCRXZHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-29-16-7-5-14(6-8-16)13-25-17(21-22-23-25)3-2-4-18(26)20-15-9-11-24(12-10-15)19(27)28/h5-8,15H,2-4,9-13H2,1H3,(H,20,26)(H,27,28).
What are the key properties of 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid?
4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid has a molecular weight of 402.46 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 141407264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).