ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate

C15H25N3O3 — CID 167876752

IUPACethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
SMILESCCOC(=O)CCCCn1ccnc1CN1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-21-15(19)5-3-4-7-18-8-6-16-14(18)13-17-9-11-20-12-10-17/h6,8H,2-5,7,9-13H2,1H3
InChIKeyDMVQGHNZFATYPS-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.45
Rot. Bonds8

About ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate

ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate (PubChem CID 167876752) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
PubChem CID167876752
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
SMILESCCOC(=O)CCCCn1ccnc1CN1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-21-15(19)5-3-4-7-18-8-6-16-14(18)13-17-9-11-20-12-10-17/h6,8H,2-5,7,9-13H2,1H3
InChIKeyDMVQGHNZFATYPS-UHFFFAOYSA-N
XLogP1.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077
[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 127247751
ethyl 5-(4-pyridin-4-ylpiperazin-1-yl)pentanoate
CID 21462657
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
ethyl 4-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]butanoate
CID 68903080
N-methyl-2-[2-(morpholin-4-ylmethyl)imidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126837087

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate?
The IUPAC name of ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate (CID 167876752) is ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate?
The canonical SMILES for ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate is CCOC(=O)CCCCn1ccnc1CN1CCOCC1.
What is the InChIKey of ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate?
The InChIKey is DMVQGHNZFATYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-21-15(19)5-3-4-7-18-8-6-16-14(18)13-17-9-11-20-12-10-17/h6,8H,2-5,7,9-13H2,1H3.
What are the key properties of ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate?
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate has a molecular weight of 295.38 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate is sourced from PubChem (CID 167876752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).