N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

C14H28Cl2N4O2 — CID 119844022

IUPACN-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-2-15-13(19)11-17-6-8-18(9-7-17)14(20)10-12-4-3-5-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H
InChIKeyGRYOPEAYRHWEGW-UHFFFAOYSA-N
MW355.31 g/mol
LogP0.25
Rot. Bonds5

About N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119844022) has the molecular formula C14H28Cl2N4O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119844022
Molecular FormulaC14H28Cl2N4O2
Molecular Weight355.31 g/mol
Exact Mass354.16
IUPAC NameN-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-2-15-13(19)11-17-6-8-18(9-7-17)14(20)10-12-4-3-5-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H
InChIKeyGRYOPEAYRHWEGW-UHFFFAOYSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119941053
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119876672
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119844022) is N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl.
What is the InChIKey of N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is GRYOPEAYRHWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.2ClH/c1-2-15-13(19)11-17-6-8-18(9-7-17)14(20)10-12-4-3-5-16-12;;/h12,16H,2-11H2,1H3,(H,15,19);2*1H.
What are the key properties of N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119844022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).