[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone

C15H29N3O3 — CID 120640752

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)C2(COC)CCNCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-20-12-11-17-7-9-18(10-8-17)14(19)15(13-21-2)3-5-16-6-4-15/h16H,3-13H2,1-2H3
InChIKeyVFAXVXJONHBZJJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.21
Rot. Bonds6

About [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (PubChem CID 120640752) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
PubChem CID120640752
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)C2(COC)CCNCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-20-12-11-17-7-9-18(10-8-17)14(19)15(13-21-2)3-5-16-6-4-15/h16H,3-13H2,1-2H3
InChIKeyVFAXVXJONHBZJJ-UHFFFAOYSA-N
XLogP-0.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (CID 120640752) is [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is COCCN1CCN(C(=O)C2(COC)CCNCC2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The InChIKey is VFAXVXJONHBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-20-12-11-17-7-9-18(10-8-17)14(19)15(13-21-2)3-5-16-6-4-15/h16H,3-13H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone has a molecular weight of 299.41 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120640752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).