3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

C12H25N3O2 — CID 62985898

IUPAC3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCOCCCN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-14(7-3-11-17-2)8-4-12(16)15-9-5-13-6-10-15/h13H,3-11H2,1-2H3
InChIKeyGNNCLWPKQNMWKS-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.22
Rot. Bonds7

About 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 62985898) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID62985898
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCOCCCN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-14(7-3-11-17-2)8-4-12(16)15-9-5-13-6-10-15/h13H,3-11H2,1-2H3
InChIKeyGNNCLWPKQNMWKS-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
N-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
CID 39286712
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137809
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63864805

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (CID 62985898) is 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is COCCCN(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is GNNCLWPKQNMWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(7-3-11-17-2)8-4-12(16)15-9-5-13-6-10-15/h13H,3-11H2,1-2H3.
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).