(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone

C10H18N3O2- — CID 59620108

IUPAC(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILES[CH2-]N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H18N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h1-9H2/q-1
InChIKeySORLIHMKXOFIRX-UHFFFAOYSA-N
MW212.27 g/mol
LogP-0.15
Rot. Bonds

About (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone

(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone (PubChem CID 59620108) has the molecular formula C10H18N3O2- and a molecular weight of 212.27 g/mol. Its IUPAC name is (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone
PubChem CID59620108
Molecular FormulaC10H18N3O2-
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILES[CH2-]N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H18N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h1-9H2/q-1
InChIKeySORLIHMKXOFIRX-UHFFFAOYSA-N
XLogP-0.15
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Dimorpholamine
CID 3091
Dimorpholinomethane
CID 21839
Diazene-1,2-diylbis(morpholinomethanone)
CID 6087454
4,4'-Carbonylbis(morpholine)
CID 655428
N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
1,4-Bis(4-morpholinylcarbonyl)-1,4-diazepane
CID 2147527
4-(1-Piperazinylcarbonyl)morpholine
CID 700139
N,N-dimethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 2147557
N,N-diethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 1094968
N-[2-(morpholin-4-yl)ethyl]morpholine-4-carboxamide
CID 654403
Ethyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 669633
N,N-dimethyl-4-(morpholine-4-carbonyl)piperazine-1-sulfonamide
CID 2147556

Frequently Asked Questions

What is the IUPAC name of (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone (CID 59620108) is (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone is [CH2-]N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is SORLIHMKXOFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h1-9H2/q-1.
What are the key properties of (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone?
(4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 212.27 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanidylpiperazin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 59620108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).