1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride

C15H28Cl2N4O3 — CID 119834289

IUPAC1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCOCC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14(18-7-9-22-10-8-18)12-17-3-5-19(6-4-17)15(21)13-1-2-16-11-13;;/h13,16H,1-12H2;2*1H
InChIKeyHIBJATDXWZJQIM-UHFFFAOYSA-N
MW383.32 g/mol
LogP-0.56
Rot. Bonds3

About 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride

1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119834289) has the molecular formula C15H28Cl2N4O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119834289
Molecular FormulaC15H28Cl2N4O3
Molecular Weight383.32 g/mol
Exact Mass382.15
IUPAC Name1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCOCC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14(18-7-9-22-10-8-18)12-17-3-5-19(6-4-17)15(21)13-1-2-16-11-13;;/h13,16H,1-12H2;2*1H
InChIKeyHIBJATDXWZJQIM-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834234
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119834289) is 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is HIBJATDXWZJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.2ClH/c20-14(18-7-9-22-10-8-18)12-17-3-5-19(6-4-17)15(21)13-1-2-16-11-13;;/h13,16H,1-12H2;2*1H.
What are the key properties of 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).