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

C14H27N3O — CID 116924037

IUPAC2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)C1CCCN(C)C1
InChIInChI=1S/C14H27N3O/c1-12(10-17-8-5-15-6-9-17)14(18)13-4-3-7-16(2)11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyFAAHDJDNTULWHS-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.44
Rot. Bonds4

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

2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 116924037) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID116924037
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)C1CCCN(C)C1
InChIInChI=1S/C14H27N3O/c1-12(10-17-8-5-15-6-9-17)14(18)13-4-3-7-16(2)11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyFAAHDJDNTULWHS-UHFFFAOYSA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
CID 116920779
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
methyl 3-methyl-2-(1-methylpiperidine-3-carbonyl)butanoate
CID 116923664
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-methylpiperidine-3-carbothioic S-acid
CID 116918903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one (CID 116924037) is 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is FAAHDJDNTULWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(10-17-8-5-15-6-9-17)14(18)13-4-3-7-16(2)11-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116924037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).