[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H26N4O3 — CID 156608601

IUPAC[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOCCn1ccnc1CN1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-22-10-7-18-6-4-17-15(18)13-20-5-2-3-14(20)16(21)19-8-11-23-12-9-19/h4,6,14H,2-3,5,7-13H2,1H3
InChIKeyWWHUSIJQJJBKTA-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.35
Rot. Bonds6

About [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 156608601) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID156608601
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOCCn1ccnc1CN1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-22-10-7-18-6-4-17-15(18)13-20-5-2-3-14(20)16(21)19-8-11-23-12-9-19/h4,6,14H,2-3,5,7-13H2,1H3
InChIKeyWWHUSIJQJJBKTA-UHFFFAOYSA-N
XLogP0.35
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 156608601) is [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is COCCn1ccnc1CN1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WWHUSIJQJJBKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-10-7-18-6-4-17-15(18)13-20-5-2-3-14(20)16(21)19-8-11-23-12-9-19/h4,6,14H,2-3,5,7-13H2,1H3.
What are the key properties of [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 156608601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).