2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

C17H33ClN4O2 — CID 120899942

IUPAC2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-15(16(22)21-9-11-23-12-10-21)20-7-5-19(6-8-20)14-17(2)3-4-18-13-17;/h15,18H,3-14H2,1-2H3;1H
InChIKeyXFSVHZLFOTYTMD-UHFFFAOYSA-N
MW360.93 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 120899942) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID120899942
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-15(16(22)21-9-11-23-12-10-21)20-7-5-19(6-8-20)14-17(2)3-4-18-13-17;/h15,18H,3-14H2,1-2H3;1H
InChIKeyXFSVHZLFOTYTMD-UHFFFAOYSA-N
XLogP0.27
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride with MolForge

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Related Compounds

N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 134847418
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-methyl-N-[4-(4-morpholinyl)butyl]acetamide
CID 45177104
2-(4-tert-butylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 68177761
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride
CID 69154387
(3S)-3-Amino-1-[(1S)-3-(4-morpholinyl)-1-(4-morpholinylcarbonyl)propyl]-2-pyrrolidinone dihydrochloride
CID 69612772
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 118052217
1-[(2S)-2-ethyl-4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 141468271
(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 142158974
ethane;2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 144172754
1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine
CID 167674837

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (CID 120899942) is 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is CC(C(=O)N1CCOCC1)N1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is XFSVHZLFOTYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-15(16(22)21-9-11-23-12-10-21)20-7-5-19(6-8-20)14-17(2)3-4-18-13-17;/h15,18H,3-14H2,1-2H3;1H.
What are the key properties of 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120899942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).