1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C17H31N3O3 — CID 120620516

IUPAC1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCNCC1
InChIInChI=1S/C17H31N3O3/c1-16(2,3)14(21)19-9-11-20(12-10-19)15(22)17(13-23-4)5-7-18-8-6-17/h18H,5-13H2,1-4H3
InChIKeyJJPAPSLIRYIMRB-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.72
Rot. Bonds3

About 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 120620516) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID120620516
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCNCC1
InChIInChI=1S/C17H31N3O3/c1-16(2,3)14(21)19-9-11-20(12-10-19)15(22)17(13-23-4)5-7-18-8-6-17/h18H,5-13H2,1-4H3
InChIKeyJJPAPSLIRYIMRB-UHFFFAOYSA-N
XLogP0.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 120620516) is 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is COCC1(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCNCC1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JJPAPSLIRYIMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-16(2,3)14(21)19-9-11-20(12-10-19)15(22)17(13-23-4)5-7-18-8-6-17/h18H,5-13H2,1-4H3.
What are the key properties of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 325.45 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 120620516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).