3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C15H29N3O3 — CID 120981635

IUPAC3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-20-12-13-21-14-2-7-17(8-3-14)9-4-15(19)18-10-5-16-6-11-18/h14,16H,2-13H2,1H3
InChIKeyCZJIUDBKTCJFFB-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.06
Rot. Bonds7

About 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981635) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981635
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-20-12-13-21-14-2-7-17(8-3-14)9-4-15(19)18-10-5-16-6-11-18/h14,16H,2-13H2,1H3
InChIKeyCZJIUDBKTCJFFB-UHFFFAOYSA-N
XLogP-0.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[4-(oxan-2-ylmethoxy)piperidin-1-yl]propanamide
CID 71976759
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-piperazin-2-ylmethanone
CID 121265350
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone
CID 140709109
N-[2-(4-methoxypiperidin-1-yl)ethyl]acetamide
CID 20739812
Methyl 2-[1-(3-piperazin-1-ylpropanoyl)piperidin-4-yl]oxyacetate
CID 67598548
1-(4-Piperidin-4-yloxypiperidin-1-yl)ethanone
CID 68022058
N-[2-[4-(2-methoxyethoxy)piperidin-1-yl]ethyl]acetamide
CID 70287419
1-[4-(1-Methanidylpiperidin-1-ium-4-yl)oxypiperidin-1-yl]ethanone
CID 88553540
N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide
CID 142765387
N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide
CID 143791008
2,2-dimethyl-N-[2-(4-propan-2-yloxypiperidin-1-yl)ethyl]propanamide
CID 143791015
1-[4-[2-(3-Aminopropoxy)ethoxy]piperidin-1-yl]ethanone
CID 155579578

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981635) is 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is COCCOC1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is CZJIUDBKTCJFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-20-12-13-21-14-2-7-17(8-3-14)9-4-15(19)18-10-5-16-6-11-18/h14,16H,2-13H2,1H3.
What are the key properties of 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 299.42 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).