ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate

C20H34N6O3 — CID 24816892

IUPACethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCC(C)CC2)C1
InChIInChI=1S/C20H34N6O3/c1-3-29-20(28)17-6-4-10-25(14-17)19(27)7-5-11-26-18(21-22-23-26)15-24-12-8-16(2)9-13-24/h16-17H,3-15H2,1-2H3
InChIKeyUEUQXYAKOXMMAQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.49
Rot. Bonds8

About ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate

ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate (PubChem CID 24816892) has the molecular formula C20H34N6O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
PubChem CID24816892
Molecular FormulaC20H34N6O3
Molecular Weight406.53 g/mol
Exact Mass406.27
IUPAC Nameethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCC(C)CC2)C1
InChIInChI=1S/C20H34N6O3/c1-3-29-20(28)17-6-4-10-25(14-17)19(27)7-5-11-26-18(21-22-23-26)15-24-12-8-16(2)9-13-24/h16-17H,3-15H2,1-2H3
InChIKeyUEUQXYAKOXMMAQ-UHFFFAOYSA-N
XLogP1.49
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate (CID 24816892) is ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCC(C)CC2)C1.
What is the InChIKey of ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The InChIKey is UEUQXYAKOXMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O3/c1-3-29-20(28)17-6-4-10-25(14-17)19(27)7-5-11-26-18(21-22-23-26)15-24-12-8-16(2)9-13-24/h16-17H,3-15H2,1-2H3.
What are the key properties of ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 24816892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).