1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride

C15H28Cl2N4O3 — CID 119875990

IUPAC1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCC1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14(11-17-4-1-2-5-17)18-6-8-19(9-7-18)15(21)13-12-22-10-3-16-13;;/h13,16H,1-12H2;2*1H
InChIKeyCMFYOLHVKZYLDA-UHFFFAOYSA-N
MW383.32 g/mol
LogP-0.41
Rot. Bonds3

About 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride

1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride (PubChem CID 119875990) has the molecular formula C15H28Cl2N4O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
PubChem CID119875990
Molecular FormulaC15H28Cl2N4O3
Molecular Weight383.32 g/mol
Exact Mass382.15
IUPAC Name1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCC1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14(11-17-4-1-2-5-17)18-6-8-19(9-7-18)15(21)13-12-22-10-3-16-13;;/h13,16H,1-12H2;2*1H
InChIKeyCMFYOLHVKZYLDA-UHFFFAOYSA-N
XLogP-0.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840026
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 119844035
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
CID 119875712
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride?
The IUPAC name of 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride (CID 119875990) is 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride?
The canonical SMILES for 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride is Cl.Cl.O=C(CN1CCCC1)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride?
The InChIKey is CMFYOLHVKZYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.2ClH/c20-14(11-17-4-1-2-5-17)18-6-8-19(9-7-18)15(21)13-12-22-10-3-16-13;;/h13,16H,1-12H2;2*1H.
What are the key properties of 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride?
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119875990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).