1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one

C19H35N5O3 — CID 142547081

IUPAC1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
SMILESCCCC(CC)CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O
InChIInChI=1S/C19H35N5O3/c1-3-5-15(4-2)13-24-7-6-23(14-17(24)25)16-12-20-21-19(26)18(16)22-8-10-27-11-9-22/h15-16,18,20H,3-14H2,1-2H3,(H,21,26)
InChIKeyPUFVYJIBGKJIQX-UHFFFAOYSA-N
MW381.52 g/mol
LogP-0.34
Rot. Bonds7

About 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one

1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one (PubChem CID 142547081) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
PubChem CID142547081
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
SMILESCCCC(CC)CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O
InChIInChI=1S/C19H35N5O3/c1-3-5-15(4-2)13-24-7-6-23(14-17(24)25)16-12-20-21-19(26)18(16)22-8-10-27-11-9-22/h15-16,18,20H,3-14H2,1-2H3,(H,21,26)
InChIKeyPUFVYJIBGKJIQX-UHFFFAOYSA-N
XLogP-0.34
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one with MolForge

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Related Compounds

4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 23540156
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 90783541
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 91231825
4-(5-Methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one
CID 142546978
1-[(2-Methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
CID 168818618
1-[2-(3-Methylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571429
1-[2-(2,5-Dimethylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571978
1-[2-(3-Ethylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63573135
1-[2-(3,3-Dimethylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63584786
1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 120632040
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120640263

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The IUPAC name of 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one (CID 142547081) is 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The canonical SMILES for 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one is CCCC(CC)CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O.
What is the InChIKey of 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The InChIKey is PUFVYJIBGKJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-3-5-15(4-2)13-24-7-6-23(14-17(24)25)16-12-20-21-19(26)18(16)22-8-10-27-11-9-22/h15-16,18,20H,3-14H2,1-2H3,(H,21,26).
What are the key properties of 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one has a molecular weight of 381.52 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one is sourced from PubChem (CID 142547081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).