N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

C14H28Cl2N4O3 — CID 119836395

IUPACN-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOCCNC(=O)CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O3.2ClH/c1-21-10-5-16-13(19)11-17-6-8-18(9-7-17)14(20)12-3-2-4-15-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H
InChIKeyPNKMBYZKXLNAGS-UHFFFAOYSA-N
MW371.31 g/mol
LogP-0.51
Rot. Bonds6

About N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119836395) has the molecular formula C14H28Cl2N4O3 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119836395
Molecular FormulaC14H28Cl2N4O3
Molecular Weight371.31 g/mol
Exact Mass370.15
IUPAC NameN-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOCCNC(=O)CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O3.2ClH/c1-21-10-5-16-13(19)11-17-6-8-18(9-7-17)14(20)12-3-2-4-15-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H
InChIKeyPNKMBYZKXLNAGS-UHFFFAOYSA-N
XLogP-0.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;dihydrochloride
CID 120797311
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119836395) is N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is COCCNC(=O)CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is PNKMBYZKXLNAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3.2ClH/c1-21-10-5-16-13(19)11-17-6-8-18(9-7-17)14(20)12-3-2-4-15-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H.
What are the key properties of N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119836395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).