3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C17H36Cl2N4O2 — CID 120982915

IUPAC3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCN(CC)CCOC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C17H34N4O2.2ClH/c1-3-19(4-2)13-14-23-16-5-9-20(15-16)10-6-17(22)21-11-7-18-8-12-21;;/h16,18H,3-15H2,1-2H3;2*1H
InChIKeySVZGUBQAHGGRQP-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.08
Rot. Bonds9

About 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982915) has the molecular formula C17H36Cl2N4O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982915
Molecular FormulaC17H36Cl2N4O2
Molecular Weight399.41 g/mol
Exact Mass398.22
IUPAC Name3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCN(CC)CCOC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C17H34N4O2.2ClH/c1-3-19(4-2)13-14-23-16-5-9-20(15-16)10-6-17(22)21-11-7-18-8-12-21;;/h16,18H,3-15H2,1-2H3;2*1H
InChIKeySVZGUBQAHGGRQP-UHFFFAOYSA-N
XLogP1.08
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119896593
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one
CID 119896640
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982915) is 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CCN(CC)CCOC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is SVZGUBQAHGGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.2ClH/c1-3-19(4-2)13-14-23-16-5-9-20(15-16)10-6-17(22)21-11-7-18-8-12-21;;/h16,18H,3-15H2,1-2H3;2*1H.
What are the key properties of 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 399.41 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).