3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one

C15H25N5O3 — CID 156583827

IUPAC3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C15H25N5O3/c21-14(5-4-13-16-15(22)18-17-13)20-6-2-1-3-12(20)11-19-7-9-23-10-8-19/h12H,1-11H2,(H2,16,17,18,22)
InChIKeyUGGCNOAHVWBKFV-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.26
Rot. Bonds5

About 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 156583827) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID156583827
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C15H25N5O3/c21-14(5-4-13-16-15(22)18-17-13)20-6-2-1-3-12(20)11-19-7-9-23-10-8-19/h12H,1-11H2,(H2,16,17,18,22)
InChIKeyUGGCNOAHVWBKFV-UHFFFAOYSA-N
XLogP-0.26
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[1-(2-Methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137199419
2-methyl-5-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-4H-1,2,4-triazol-3-one
CID 137224110
3-[(3R)-1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242372
3-[(3S)-1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242373
5-{3-[4-(2-methoxyethyl)-1-piperazinyl]-3-oxopropyl}-2,4-dihydro-3H-1,2,4-triazol-3-one formate
CID 157018092
5-{3-[rel-(4S,9aR)-4-cyclopropylhexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-oxopropyl}-2,4-dihydro-3H-1,2,4-triazol-3-one formate
CID 165424295

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 156583827) is 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(CCc1n[nH]c(=O)[nH]1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UGGCNOAHVWBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c21-14(5-4-13-16-15(22)18-17-13)20-6-2-1-3-12(20)11-19-7-9-23-10-8-19/h12H,1-11H2,(H2,16,17,18,22).
What are the key properties of 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 323.40 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 156583827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).