1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one

C21H37N5O2 — CID 168818643

IUPAC1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CCCCN2)CC1=O
InChIInChI=1S/C21H37N5O2/c1-15-6-2-3-7-16(15)13-26-11-10-25(14-19(26)27)18-12-23-24-21(28)20(18)17-8-4-5-9-22-17/h15-18,20,22-23H,2-14H2,1H3,(H,24,28)
InChIKeyYHQSTFXDEUCRRB-UHFFFAOYSA-N
MW391.56 g/mol
LogP0.72
Rot. Bonds4

About 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one

1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one (PubChem CID 168818643) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one
PubChem CID168818643
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CCCCN2)CC1=O
InChIInChI=1S/C21H37N5O2/c1-15-6-2-3-7-16(15)13-26-11-10-25(14-19(26)27)18-12-23-24-21(28)20(18)17-8-4-5-9-22-17/h15-18,20,22-23H,2-14H2,1H3,(H,24,28)
InChIKeyYHQSTFXDEUCRRB-UHFFFAOYSA-N
XLogP0.72
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one (CID 168818643) is 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2C2CCCCN2)CC1=O.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one?
The InChIKey is YHQSTFXDEUCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-15-6-2-3-7-16(15)13-26-11-10-25(14-19(26)27)18-12-23-24-21(28)20(18)17-8-4-5-9-22-17/h15-18,20,22-23H,2-14H2,1H3,(H,24,28).
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one?
1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one has a molecular weight of 391.56 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-piperidin-2-yldiazinan-4-yl)piperazin-2-one is sourced from PubChem (CID 168818643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).