1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one

C16H28N6O2 — CID 56802738

IUPAC1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCOC(Cn3cncn3)C2)CC1
InChIInChI=1S/C16H28N6O2/c1-3-19-4-6-20(7-5-19)16(23)14(2)21-8-9-24-15(10-21)11-22-13-17-12-18-22/h12-15H,3-11H2,1-2H3
InChIKeyPKHZPJLZBMYJDG-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.47
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one (PubChem CID 56802738) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one
PubChem CID56802738
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCOC(Cn3cncn3)C2)CC1
InChIInChI=1S/C16H28N6O2/c1-3-19-4-6-20(7-5-19)16(23)14(2)21-8-9-24-15(10-21)11-22-13-17-12-18-22/h12-15H,3-11H2,1-2H3
InChIKeyPKHZPJLZBMYJDG-UHFFFAOYSA-N
XLogP-0.47
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 56802761
4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49452444
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 56802694
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 100841752
(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95326714
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349962
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610094
N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 98761733
(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 100841784

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one (CID 56802738) is 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one is CCN1CCN(C(=O)C(C)N2CCOC(Cn3cncn3)C2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one?
The InChIKey is PKHZPJLZBMYJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-3-19-4-6-20(7-5-19)16(23)14(2)21-8-9-24-15(10-21)11-22-13-17-12-18-22/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one has a molecular weight of 336.44 g/mol, XLogP of -0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56802738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).