ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate

C18H30N6O4 — CID 24791065

IUPACethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H30N6O4/c1-2-28-18(26)15-5-3-7-23(13-15)17(25)6-4-8-24-16(19-20-21-24)14-22-9-11-27-12-10-22/h15H,2-14H2,1H3
InChIKeyUFBGCTXWVMHCQP-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.09
Rot. Bonds8

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

ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate (PubChem CID 24791065) has the molecular formula C18H30N6O4 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
PubChem CID24791065
Molecular FormulaC18H30N6O4
Molecular Weight394.48 g/mol
Exact Mass394.23
IUPAC Nameethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H30N6O4/c1-2-28-18(26)15-5-3-7-23(13-15)17(25)6-4-8-24-16(19-20-21-24)14-22-9-11-27-12-10-22/h15H,2-14H2,1H3
InChIKeyUFBGCTXWVMHCQP-UHFFFAOYSA-N
XLogP0.09
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate (CID 24791065) is ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
The InChIKey is UFBGCTXWVMHCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O4/c1-2-28-18(26)15-5-3-7-23(13-15)17(25)6-4-8-24-16(19-20-21-24)14-22-9-11-27-12-10-22/h15H,2-14H2,1H3.
What are the key properties of ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate?
ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 0.09, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 24791065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).