1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C19H30N8O2 — CID 45248495

IUPAC1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3
InChIKeyXZDYDACVBWARMH-UHFFFAOYSA-N
MW402.50 g/mol
LogP0.48
Rot. Bonds7

About 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 45248495) has the molecular formula C19H30N8O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID45248495
Molecular FormulaC19H30N8O2
Molecular Weight402.50 g/mol
Exact Mass402.25
IUPAC Name1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3
InChIKeyXZDYDACVBWARMH-UHFFFAOYSA-N
XLogP0.48
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 45248495) is 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is Cc1nccn1CCC1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1.
What is the InChIKey of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is XZDYDACVBWARMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3.
What are the key properties of 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 0.48, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 45248495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).