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

C13H25N3O — CID 24693532

IUPAC2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCCCN1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)12(2)13(17)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3
InChIKeyDYPHEAFJCYRKKE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

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

2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 24693532) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID24693532
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCCCN1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)12(2)13(17)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3
InChIKeyDYPHEAFJCYRKKE-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 65320423
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 64980370
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 24693532) is 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is CC1CCCCN1C(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is DYPHEAFJCYRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)12(2)13(17)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 24693532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).