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

C19H34N4O2 — CID 168818757

IUPAC1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one
SMILESCC(C)C1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C19H34N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h13-16,18,20H,4-12H2,1-3H3,(H,21,25)
InChIKeyAFVCSUHGOFQNLX-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.23
Rot. Bonds4

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

1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one (PubChem CID 168818757) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one
PubChem CID168818757
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one
SMILESCC(C)C1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C19H34N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h13-16,18,20H,4-12H2,1-3H3,(H,21,25)
InChIKeyAFVCSUHGOFQNLX-UHFFFAOYSA-N
XLogP1.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one (CID 168818757) is 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one is CC(C)C1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one?
The InChIKey is AFVCSUHGOFQNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h13-16,18,20H,4-12H2,1-3H3,(H,21,25).
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one?
1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one has a molecular weight of 350.51 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-4-(6-oxo-5-propan-2-yldiazinan-4-yl)piperazin-2-one is sourced from PubChem (CID 168818757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).