3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride

C20H32Cl2N4O3 — CID 154891709

IUPAC3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
SMILESCl.Cl.O=C(CNCC1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1
InChIInChI=1S/C20H30N4O3.2ClH/c25-18(23-13-9-21-10-14-23)15-22-16-20(27)8-4-11-24(19(20)26)12-7-17-5-2-1-3-6-17;;/h1-3,5-6,21-22,27H,4,7-16H2;2*1H
InChIKeyGVJDIMNQYOUQFF-UHFFFAOYSA-N
MW447.41 g/mol
LogP0.45
Rot. Bonds7

About 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride

3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride (PubChem CID 154891709) has the molecular formula C20H32Cl2N4O3 and a molecular weight of 447.41 g/mol. Its IUPAC name is 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
PubChem CID154891709
Molecular FormulaC20H32Cl2N4O3
Molecular Weight447.41 g/mol
Exact Mass446.19
IUPAC Name3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride
SMILESCl.Cl.O=C(CNCC1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1
InChIInChI=1S/C20H30N4O3.2ClH/c25-18(23-13-9-21-10-14-23)15-22-16-20(27)8-4-11-24(19(20)26)12-7-17-5-2-1-3-6-17;;/h1-3,5-6,21-22,27H,4,7-16H2;2*1H
InChIKeyGVJDIMNQYOUQFF-UHFFFAOYSA-N
XLogP0.45
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride with MolForge

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Related Compounds

3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3R)-3-hydroxy-1-(3-phenylpropyl)-3-[(piperidin-4-ylmethylamino)methyl]piperidin-2-one
CID 95194092
(3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 95188134
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211537
(3R)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211538
(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95206186
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95221812
(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95200644
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95196906
(3S)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95200198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride?
The IUPAC name of 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride (CID 154891709) is 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride is Cl.Cl.O=C(CNCC1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1.
What is the InChIKey of 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride?
The InChIKey is GVJDIMNQYOUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.2ClH/c25-18(23-13-9-21-10-14-23)15-22-16-20(27)8-4-11-24(19(20)26)12-7-17-5-2-1-3-6-17;;/h1-3,5-6,21-22,27H,4,7-16H2;2*1H.
What are the key properties of 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride?
3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride has a molecular weight of 447.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one;dihydrochloride is sourced from PubChem (CID 154891709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).