methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride

C19H36Cl2N4O3 — CID 67762649

IUPACmethyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O3.2ClH/c1-26-18(24)3-2-16-6-10-22(11-7-16)19(25)23-14-12-21(13-15-23)17-4-8-20-9-5-17;;/h16-17,20H,2-15H2,1H3;2*1H
InChIKeyCOOWQHSIEVTACU-UHFFFAOYSA-N
MW439.43 g/mol
LogP1.98
Rot. Bonds4

About methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride

methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride (PubChem CID 67762649) has the molecular formula C19H36Cl2N4O3 and a molecular weight of 439.43 g/mol. Its IUPAC name is methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride
PubChem CID67762649
Molecular FormulaC19H36Cl2N4O3
Molecular Weight439.43 g/mol
Exact Mass438.22
IUPAC Namemethyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O3.2ClH/c1-26-18(24)3-2-16-6-10-22(11-7-16)19(25)23-14-12-21(13-15-23)17-4-8-20-9-5-17;;/h16-17,20H,2-15H2,1H3;2*1H
InChIKeyCOOWQHSIEVTACU-UHFFFAOYSA-N
XLogP1.98
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride?
The IUPAC name of methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride (CID 67762649) is methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride?
The canonical SMILES for methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride is COC(=O)CCC1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl.
What is the InChIKey of methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride?
The InChIKey is COOWQHSIEVTACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3.2ClH/c1-26-18(24)3-2-16-6-10-22(11-7-16)19(25)23-14-12-21(13-15-23)17-4-8-20-9-5-17;;/h16-17,20H,2-15H2,1H3;2*1H.
What are the key properties of methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride?
methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride is sourced from PubChem (CID 67762649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).