[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride

C20H37Cl2N5O4 — CID 139782781

IUPAC[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride
SMILESCC(OC(=O)CNC(=O)C1CCNCC1)C(=O)N1CCN(C2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C20H35N5O4.2ClH/c1-15(29-18(26)14-23-19(27)16-2-6-21-7-3-16)20(28)25-12-10-24(11-13-25)17-4-8-22-9-5-17;;/h15-17,21-22H,2-14H2,1H3,(H,23,27);2*1H
InChIKeyXLUMAJIYEXNGTO-UHFFFAOYSA-N
MW482.45 g/mol
LogP-0.23
Rot. Bonds6

About [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride

[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride (PubChem CID 139782781) has the molecular formula C20H37Cl2N5O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride.

Molecular Properties

Compound Name[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride
PubChem CID139782781
Molecular FormulaC20H37Cl2N5O4
Molecular Weight482.45 g/mol
Exact Mass481.22
IUPAC Name[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride
SMILESCC(OC(=O)CNC(=O)C1CCNCC1)C(=O)N1CCN(C2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C20H35N5O4.2ClH/c1-15(29-18(26)14-23-19(27)16-2-6-21-7-3-16)20(28)25-12-10-24(11-13-25)17-4-8-22-9-5-17;;/h15-17,21-22H,2-14H2,1H3,(H,23,27);2*1H
InChIKeyXLUMAJIYEXNGTO-UHFFFAOYSA-N
XLogP-0.23
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride with MolForge

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Related Compounds

ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
CID 102736375
[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
CID 67706422
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate
CID 23117201
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
CID 142549044
(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-1-one
CID 123786202
methyl 3-[4-[(1-piperidin-4-ylpiperidine-4-carbonyl)amino]cyclohexyl]propanoate;dihydrochloride
CID 67844736
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride?
The IUPAC name of [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride (CID 139782781) is [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride.
What is the SMILES notation for [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride?
The canonical SMILES for [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride is CC(OC(=O)CNC(=O)C1CCNCC1)C(=O)N1CCN(C2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride?
The InChIKey is XLUMAJIYEXNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O4.2ClH/c1-15(29-18(26)14-23-19(27)16-2-6-21-7-3-16)20(28)25-12-10-24(11-13-25)17-4-8-22-9-5-17;;/h15-17,21-22H,2-14H2,1H3,(H,23,27);2*1H.
What are the key properties of [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride?
[1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride has a molecular weight of 482.45 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] 2-(piperidine-4-carbonylamino)acetate;dihydrochloride is sourced from PubChem (CID 139782781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).