2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C17H28N4O3 — CID 70743095

IUPAC2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCOCCn1ccnc1C1CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-23-10-7-21-6-4-18-17(21)15-3-2-5-19(13-15)14-16(22)20-8-11-24-12-9-20/h4,6,15H,2-3,5,7-14H2,1H3
InChIKeyIPJAKGDDXQSEMH-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.57
Rot. Bonds6

About 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 70743095) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID70743095
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCOCCn1ccnc1C1CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-23-10-7-21-6-4-18-17(21)15-3-2-5-19(13-15)14-16(22)20-8-11-24-12-9-20/h4,6,15H,2-3,5,7-14H2,1H3
InChIKeyIPJAKGDDXQSEMH-UHFFFAOYSA-N
XLogP0.57
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
4-ethyl-5-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56718322
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
1-{[(cyclopropylmethyl)thio]acetyl}-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70784281
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
CID 72889006
N-(2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-oxoethyl)urea
CID 72904808

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 70743095) is 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is COCCn1ccnc1C1CCCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is IPJAKGDDXQSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-23-10-7-21-6-4-18-17(21)15-3-2-5-19(13-15)14-16(22)20-8-11-24-12-9-20/h4,6,15H,2-3,5,7-14H2,1H3.
What are the key properties of 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 336.44 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 70743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).