1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride

C16H30Cl2N4O3 — CID 119877474

IUPAC1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCOCC1)N1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O3.2ClH/c1-13(15(21)20-9-11-23-12-10-20)18-5-7-19(8-6-18)16(22)14-3-2-4-17-14;;/h13-14,17H,2-12H2,1H3;2*1H
InChIKeyYBMFWIPRMOIDIY-UHFFFAOYSA-N
MW397.35 g/mol
LogP-0.03
Rot. Bonds3

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

1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119877474) has the molecular formula C16H30Cl2N4O3 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119877474
Molecular FormulaC16H30Cl2N4O3
Molecular Weight397.35 g/mol
Exact Mass396.17
IUPAC Name1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCOCC1)N1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O3.2ClH/c1-13(15(21)20-9-11-23-12-10-20)18-5-7-19(8-6-18)16(22)14-3-2-4-17-14;;/h13-14,17H,2-12H2,1H3;2*1H
InChIKeyYBMFWIPRMOIDIY-UHFFFAOYSA-N
XLogP-0.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
CID 119839022
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119877474) is 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C(=O)N1CCOCC1)N1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is YBMFWIPRMOIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3.2ClH/c1-13(15(21)20-9-11-23-12-10-20)18-5-7-19(8-6-18)16(22)14-3-2-4-17-14;;/h13-14,17H,2-12H2,1H3;2*1H.
What are the key properties of 1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride?
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of -0.03, 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-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119877474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).