ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride

C20H39Cl2N5O5 — CID 67802750

IUPACethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride
SMILESCCOC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(N)=O.Cl.Cl
InChIInChI=1S/C20H37N5O5.2ClH/c1-2-29-19(27)14-24(13-18(21)26)12-9-23-20(28)25-10-5-17(6-11-25)30-15-16-3-7-22-8-4-16;;/h16-17,22H,2-15H2,1H3,(H2,21,26)(H,23,28);2*1H
InChIKeyUXOGMXOQGFMUID-UHFFFAOYSA-N
MW500.47 g/mol
LogP0.37
Rot. Bonds11

About ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride

ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride (PubChem CID 67802750) has the molecular formula C20H39Cl2N5O5 and a molecular weight of 500.47 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride
PubChem CID67802750
Molecular FormulaC20H39Cl2N5O5
Molecular Weight500.47 g/mol
Exact Mass499.23
IUPAC Nameethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride
SMILESCCOC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(N)=O.Cl.Cl
InChIInChI=1S/C20H37N5O5.2ClH/c1-2-29-19(27)14-24(13-18(21)26)12-9-23-20(28)25-10-5-17(6-11-25)30-15-16-3-7-22-8-4-16;;/h16-17,22H,2-15H2,1H3,(H2,21,26)(H,23,28);2*1H
InChIKeyUXOGMXOQGFMUID-UHFFFAOYSA-N
XLogP0.37
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride?
The IUPAC name of ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride (CID 67802750) is ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride?
The canonical SMILES for ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride is CCOC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(N)=O.Cl.Cl.
What is the InChIKey of ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride?
The InChIKey is UXOGMXOQGFMUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O5.2ClH/c1-2-29-19(27)14-24(13-18(21)26)12-9-23-20(28)25-10-5-17(6-11-25)30-15-16-3-7-22-8-4-16;;/h16-17,22H,2-15H2,1H3,(H2,21,26)(H,23,28);2*1H.
What are the key properties of ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride?
ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride has a molecular weight of 500.47 g/mol, XLogP of 0.37, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride is sourced from PubChem (CID 67802750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).