[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

C19H29N5O3 — CID 45188846

IUPAC[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N5O3/c25-18(22-9-11-27-12-10-22)15-5-4-8-23(13-15)19(26)17-14-24(21-20-17)16-6-2-1-3-7-16/h14-16H,1-13H2
InChIKeyOXDYLKQASCKFKN-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.49
Rot. Bonds3

About [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 45188846) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID45188846
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N5O3/c25-18(22-9-11-27-12-10-22)15-5-4-8-23(13-15)19(26)17-14-24(21-20-17)16-6-2-1-3-7-16/h14-16H,1-13H2
InChIKeyOXDYLKQASCKFKN-UHFFFAOYSA-N
XLogP1.49
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 45188846) is [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(C2CCCCC2)nn1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OXDYLKQASCKFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c25-18(22-9-11-27-12-10-22)15-5-4-8-23(13-15)19(26)17-14-24(21-20-17)16-6-2-1-3-7-16/h14-16H,1-13H2.
What are the key properties of [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclohexyltriazole-4-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45188846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).