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

C13H25N3O — CID 43130572

IUPAC1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1C)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)13(17)12(2)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3
InChIKeyAGZSMWWXFDTVPR-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

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

1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 43130572) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID43130572
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1C)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)13(17)12(2)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3
InChIKeyAGZSMWWXFDTVPR-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

ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 62480817
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82240969
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511230
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (CID 43130572) is 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1C)N1CCNCC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is AGZSMWWXFDTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-5-3-4-8-16(11)13(17)12(2)15-9-6-14-7-10-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
1-(2-methylpiperidin-1-yl)-2-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 1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43130572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).