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

C20H37Cl2N5O4 — CID 139782742

IUPACmethyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride
SMILESCOC(=O)CCNC(=O)C1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C20H35N5O4.2ClH/c1-29-18(26)4-9-22-19(27)16-5-10-24(11-6-16)20(28)25-14-12-23(13-15-25)17-2-7-21-8-3-17;;/h16-17,21H,2-15H2,1H3,(H,22,27);2*1H
InChIKeyLXZANOHWHUOIPK-UHFFFAOYSA-N
MW482.45 g/mol
LogP0.71
Rot. Bonds5

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

methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride (PubChem CID 139782742) has the molecular formula C20H37Cl2N5O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride
PubChem CID139782742
Molecular FormulaC20H37Cl2N5O4
Molecular Weight482.45 g/mol
Exact Mass481.22
IUPAC Namemethyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride
SMILESCOC(=O)CCNC(=O)C1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl
InChIInChI=1S/C20H35N5O4.2ClH/c1-29-18(26)4-9-22-19(27)16-5-10-24(11-6-16)20(28)25-14-12-23(13-15-25)17-2-7-21-8-3-17;;/h16-17,21H,2-15H2,1H3,(H,22,27);2*1H
InChIKeyLXZANOHWHUOIPK-UHFFFAOYSA-N
XLogP0.71
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 7161665
Methyl 3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]piperidin-1-yl]propanoate;trihydrochloride
CID 19602909
Methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate
CID 57219456
Methyl 3-[piperidin-1-yl-(4-piperidin-4-ylpiperazine-1-carbonyl)amino]propanoate;trihydrochloride
CID 67597271
Methyl 3-[piperidin-1-yl-(4-piperidin-4-ylpiperazine-1-carbonyl)amino]propanoate;dihydrochloride
CID 67598082
1-[2-[(4-Piperidin-4-ylpiperazine-1-carbonyl)amino]ethyl]piperidine-4-carboxylic acid;trihydrochloride
CID 67599768
Methyl 4-oxo-4-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]butanoate;hydrochloride
CID 67762100
2-Methylpropyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate;trihydrochloride
CID 67762513
Methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate;trihydrochloride
CID 67762599
Methyl 3-[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-4-yl]propanoate;dihydrochloride
CID 67762649
Methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate;dihydrochloride
CID 67762691
Methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride
CID 139782750

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride?
The IUPAC name of methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride (CID 139782742) is methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride?
The canonical SMILES for methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride is COC(=O)CCNC(=O)C1CCN(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.Cl.
What is the InChIKey of methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride?
The InChIKey is LXZANOHWHUOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O4.2ClH/c1-29-18(26)4-9-22-19(27)16-5-10-24(11-6-16)20(28)25-14-12-23(13-15-25)17-2-7-21-8-3-17;;/h16-17,21H,2-15H2,1H3,(H,22,27);2*1H.
What are the key properties of methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride?
methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride has a molecular weight of 482.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidine-4-carbonyl]amino]propanoate;dihydrochloride is sourced from PubChem (CID 139782742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).