1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one

C13H25N3O — CID 82511230

IUPAC1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC1CCCCN1C(=O)CCN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12-4-2-3-8-16(12)13(17)5-9-15-10-6-14-7-11-15/h12,14H,2-11H2,1H3
InChIKeyVLMFKWHDSCWYCN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one

1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82511230) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82511230
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC1CCCCN1C(=O)CCN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12-4-2-3-8-16(12)13(17)5-9-15-10-6-14-7-11-15/h12,14H,2-11H2,1H3
InChIKeyVLMFKWHDSCWYCN-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
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CID 3275984
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
CID 82023476
4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one
CID 84577381
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one (CID 82511230) is 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one is CC1CCCCN1C(=O)CCN1CCNCC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is VLMFKWHDSCWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12-4-2-3-8-16(12)13(17)5-9-15-10-6-14-7-11-15/h12,14H,2-11H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).