1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one

C15H29N3O2 — CID 120844635

IUPAC1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one
SMILESCOCC(C)(C)CN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,12-20-3)11-17-7-4-5-13(10-17)18-8-6-16-9-14(18)19/h13,16H,4-12H2,1-3H3
InChIKeyMVOGSWHOSFXYEZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.56
Rot. Bonds5

About 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one

1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one (PubChem CID 120844635) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one
PubChem CID120844635
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one
SMILESCOCC(C)(C)CN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,12-20-3)11-17-7-4-5-13(10-17)18-8-6-16-9-14(18)19/h13,16H,4-12H2,1-3H3
InChIKeyMVOGSWHOSFXYEZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one (CID 120844635) is 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one is COCC(C)(C)CN1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one?
The InChIKey is MVOGSWHOSFXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,12-20-3)11-17-7-4-5-13(10-17)18-8-6-16-9-14(18)19/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one?
1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one has a molecular weight of 283.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).