ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate

C13H21N3O3 — CID 56760030

IUPACethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CCCN1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-2-19-13(17)12-14-4-7-16(12)6-3-5-15-8-10-18-11-9-15/h4,7H,2-3,5-6,8-11H2,1H3
InChIKeyWGAFOUOKLLQSGK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.78
Rot. Bonds6

About ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate

ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate (PubChem CID 56760030) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
PubChem CID56760030
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CCCN1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-2-19-13(17)12-14-4-7-16(12)6-3-5-15-8-10-18-11-9-15/h4,7H,2-3,5-6,8-11H2,1H3
InChIKeyWGAFOUOKLLQSGK-UHFFFAOYSA-N
XLogP0.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752
ethyl 1-[[5-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-1,2-oxazol-3-yl]methyl]imidazole-2-carboxylate
CID 167451654
ethyl 1-(methylsulfonylmethyl)imidazole-2-carboxylate
CID 151215685
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
methyl 1-butylimidazole-2-carboxylate
CID 137346516
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate (CID 56760030) is ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate is CCOC(=O)c1nccn1CCCN1CCOCC1.
What is the InChIKey of ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate?
The InChIKey is WGAFOUOKLLQSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-19-13(17)12-14-4-7-16(12)6-3-5-15-8-10-18-11-9-15/h4,7H,2-3,5-6,8-11H2,1H3.
What are the key properties of ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate?
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate is sourced from PubChem (CID 56760030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).