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

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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).