ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone

C12H25N3O2 — CID 144937345

IUPACethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESCC.CN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H19N3O2.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyUPKLYAMZKABRGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.71
Rot. Bonds

About ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone

ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone (PubChem CID 144937345) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Nameethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone
PubChem CID144937345
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nameethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESCC.CN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H19N3O2.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyUPKLYAMZKABRGW-UHFFFAOYSA-N
XLogP0.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimorpholamine
CID 3091
Dimorpholinomethane
CID 21839
4,4'-Carbonylbis(morpholine)
CID 655428
4-(1-Piperazinylcarbonyl)morpholine
CID 700139
N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
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
(4-Ethylpiperazin-1-yl)(morpholin-4-yl)methanone
CID 3148015
[4-(Morpholine-4-carbonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1326822

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone (CID 144937345) is ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone is CC.CN1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is UPKLYAMZKABRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone?
ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 243.35 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 144937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).