3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one

C13H26N2O2 — CID 82243898

IUPAC3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CC(CC(C)C)NCC1C
InChIInChI=1S/C13H26N2O2/c1-10(2)7-12-9-15(11(3)8-14-12)13(16)5-6-17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyMMBVAGVMMGQQHU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one

3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 82243898) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID82243898
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CC(CC(C)C)NCC1C
InChIInChI=1S/C13H26N2O2/c1-10(2)7-12-9-15(11(3)8-14-12)13(16)5-6-17-4/h10-12,14H,5-9H2,1-4H3
InChIKeyMMBVAGVMMGQQHU-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-methyl-5-(2-methylpropyl)piperazine-1-carboxamide
CID 82245441
1-(4-methoxybutan-2-yl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64939365
1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 82245316
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82241766
2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
CID 104650225
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 90594209
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 66211098

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one (CID 82243898) is 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one is COCCC(=O)N1CC(CC(C)C)NCC1C.
What is the InChIKey of 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is MMBVAGVMMGQQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)7-12-9-15(11(3)8-14-12)13(16)5-6-17-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one?
3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 82243898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).