3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C18H30N4O2 — CID 42593095

IUPAC3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-2-21-10-7-19-17(21)15-20-8-5-16(6-9-20)3-4-18(23)22-11-13-24-14-12-22/h7,10,16H,2-6,8-9,11-15H2,1H3
InChIKeyLUGOZRSUFAESSY-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.75
Rot. Bonds6

About 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42593095) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42593095
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-2-21-10-7-19-17(21)15-20-8-5-16(6-9-20)3-4-18(23)22-11-13-24-14-12-22/h7,10,16H,2-6,8-9,11-15H2,1H3
InChIKeyLUGOZRSUFAESSY-UHFFFAOYSA-N
XLogP1.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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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
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
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
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
(1-methyl-1H-imidazol-2-yl){1-[(1-propyl-4-piperidinyl)acetyl]-4-piperidinyl}methanol
CID 72849022
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 42593095) is 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is CCn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LUGOZRSUFAESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-2-21-10-7-19-17(21)15-20-8-5-16(6-9-20)3-4-18(23)22-11-13-24-14-12-22/h7,10,16H,2-6,8-9,11-15H2,1H3.
What are the key properties of 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42593095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).