1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one

C20H35N5O3 — CID 168818618

IUPAC1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O
InChIInChI=1S/C20H35N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h15-17,19,21H,2-14H2,1H3,(H,22,27)
InChIKeyGKGUERMZOKKPBI-UHFFFAOYSA-N
MW393.53 g/mol
LogP-0.34
Rot. Bonds4

About 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one

1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one (PubChem CID 168818618) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
PubChem CID168818618
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O
InChIInChI=1S/C20H35N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h15-17,19,21H,2-14H2,1H3,(H,22,27)
InChIKeyGKGUERMZOKKPBI-UHFFFAOYSA-N
XLogP-0.34
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one with MolForge

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Related Compounds

5-[4-[(4-Fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one
CID 142546769
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 90783541
1-(2-Ethylpentyl)-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
CID 142547081
1-[(2-Methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one
CID 168818643
4-(5-Ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818733
4-(5-Cyclopropyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818744
4-(5-Methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818756
1-[(2-Methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one
CID 168818757
4-[5-(3-Methylbut-1-ynyl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818761
4-(5-Cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818764
4-(5-Cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818767
1-[(2-Methylcyclohexyl)methyl]-4-[5-(oxan-4-yl)-6-oxodiazinan-4-yl]piperazin-2-one
CID 168818775

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one (CID 168818618) is 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2N2CCOCC2)CC1=O.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
The InChIKey is GKGUERMZOKKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h15-17,19,21H,2-14H2,1H3,(H,22,27).
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one?
1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one has a molecular weight of 393.53 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one is sourced from PubChem (CID 168818618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).