5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one

C19H35N5O2 — CID 56701983

IUPAC5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(CC(C)(C)CN3CCOCC3)C2)nn(C)c1=O
InChIInChI=1S/C19H35N5O2/c1-5-24-17(20-21(4)18(24)25)16-7-6-8-23(13-16)15-19(2,3)14-22-9-11-26-12-10-22/h16H,5-15H2,1-4H3
InChIKeyLUPNFKXWBONRLN-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.14
Rot. Bonds6

About 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one

5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 56701983) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
PubChem CID56701983
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(CC(C)(C)CN3CCOCC3)C2)nn(C)c1=O
InChIInChI=1S/C19H35N5O2/c1-5-24-17(20-21(4)18(24)25)16-7-6-8-23(13-16)15-19(2,3)14-22-9-11-26-12-10-22/h16H,5-15H2,1-4H3
InChIKeyLUPNFKXWBONRLN-UHFFFAOYSA-N
XLogP1.14
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (CID 56701983) is 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is CCn1c(C2CCCN(CC(C)(C)CN3CCOCC3)C2)nn(C)c1=O.
What is the InChIKey of 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is LUPNFKXWBONRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-5-24-17(20-21(4)18(24)25)16-7-6-8-23(13-16)15-19(2,3)14-22-9-11-26-12-10-22/h16H,5-15H2,1-4H3.
What are the key properties of 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 365.52 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56701983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).