5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one

C18H27N5O4 — CID 121069979

IUPAC5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C18H27N5O4/c1-20-16(13-4-6-22(7-5-13)17(25)14-2-3-14)19-23(18(20)26)12-15(24)21-8-10-27-11-9-21/h13-14H,2-12H2,1H3
InChIKeyHPOCORKETIHOQM-UHFFFAOYSA-N
MW377.45 g/mol
LogP-0.44
Rot. Bonds4

About 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one

5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one (PubChem CID 121069979) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
PubChem CID121069979
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C18H27N5O4/c1-20-16(13-4-6-22(7-5-13)17(25)14-2-3-14)19-23(18(20)26)12-15(24)21-8-10-27-11-9-21/h13-14H,2-12H2,1H3
InChIKeyHPOCORKETIHOQM-UHFFFAOYSA-N
XLogP-0.44
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one (CID 121069979) is 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one is Cn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)N2CCOCC2)c1=O.
What is the InChIKey of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
The InChIKey is HPOCORKETIHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-20-16(13-4-6-22(7-5-13)17(25)14-2-3-14)19-23(18(20)26)12-15(24)21-8-10-27-11-9-21/h13-14H,2-12H2,1H3.
What are the key properties of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one?
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one has a molecular weight of 377.45 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121069979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).