1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one

C14H27N3O — CID 43130716

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-11-8-12(2)10-17(9-11)14(18)13(3)16-6-4-15-5-7-16/h11-13,15H,4-10H2,1-3H3
InChIKeyICMSEXOXOXFXAS-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.78
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 43130716) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID43130716
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-11-8-12(2)10-17(9-11)14(18)13(3)16-6-4-15-5-7-16/h11-13,15H,4-10H2,1-3H3
InChIKeyICMSEXOXOXFXAS-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530576
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 63620232
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107
2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
CID 24697719
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (CID 43130716) is 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is CC1CC(C)CN(C(=O)C(C)N2CCNCC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is ICMSEXOXOXFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-8-12(2)10-17(9-11)14(18)13(3)16-6-4-15-5-7-16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43130716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).