3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C17H32N4O2 — CID 120982532

IUPAC3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(C2CCN(CCC(=O)N3CCNCC3)CC2)CCO1
InChIInChI=1S/C17H32N4O2/c1-15-14-21(12-13-23-15)16-2-7-19(8-3-16)9-4-17(22)20-10-5-18-6-11-20/h15-16,18H,2-14H2,1H3
InChIKeyHVZPDCMICOZFDI-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.01
Rot. Bonds4

About 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982532) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982532
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(C2CCN(CCC(=O)N3CCNCC3)CC2)CCO1
InChIInChI=1S/C17H32N4O2/c1-15-14-21(12-13-23-15)16-2-7-19(8-3-16)9-4-17(22)20-10-5-18-6-11-20/h15-16,18H,2-14H2,1H3
InChIKeyHVZPDCMICOZFDI-UHFFFAOYSA-N
XLogP-0.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
N-cyclohexyl-3-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]propanamide
CID 95187246
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119861929
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612661
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
4-[2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 56795828

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982532) is 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is CC1CN(C2CCN(CCC(=O)N3CCNCC3)CC2)CCO1.
What is the InChIKey of 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is HVZPDCMICOZFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-15-14-21(12-13-23-15)16-2-7-19(8-3-16)9-4-17(22)20-10-5-18-6-11-20/h15-16,18H,2-14H2,1H3.
What are the key properties of 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 324.47 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).