1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one

C14H26N4O3 — CID 95344088

IUPAC1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESCC[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1CCOC
InChIInChI=1S/C14H26N4O3/c1-3-12-10-16(6-7-17(12)8-9-21-2)11-13(19)18-5-4-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyXKEBPQTWNXZYEB-GFCCVEGCSA-N
MW298.39 g/mol
LogP-0.42
Rot. Bonds6

About 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one

1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 95344088) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID95344088
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESCC[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1CCOC
InChIInChI=1S/C14H26N4O3/c1-3-12-10-16(6-7-17(12)8-9-21-2)11-13(19)18-5-4-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyXKEBPQTWNXZYEB-GFCCVEGCSA-N
XLogP-0.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one (CID 95344088) is 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one is CC[C@@H]1CN(CC(=O)N2CCNC2=O)CCN1CCOC.
What is the InChIKey of 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is XKEBPQTWNXZYEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-12-10-16(6-7-17(12)8-9-21-2)11-13(19)18-5-4-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 95344088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).