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

C14H22N4O2 — CID 70781326

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H22N4O2/c19-13(9-12-10-20-8-5-15-12)18-6-1-11(2-7-18)14-16-3-4-17-14/h3-4,11-12,15H,1-2,5-10H2,(H,16,17)
InChIKeyLFMMIYDUCQRGRY-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.49
Rot. Bonds3

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

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone (PubChem CID 70781326) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
PubChem CID70781326
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H22N4O2/c19-13(9-12-10-20-8-5-15-12)18-6-1-11(2-7-18)14-16-3-4-17-14/h3-4,11-12,15H,1-2,5-10H2,(H,16,17)
InChIKeyLFMMIYDUCQRGRY-UHFFFAOYSA-N
XLogP0.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-Imidazol-2-ylmethyl)-2-methyl-2-(morpholine-4-carbonyl)morpholine
CID 110268350
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
(3R*,5R*)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72838854
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72872983
3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
4-{1-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]ethyl}morpholine
CID 70771790
2-{[4-(1H-imidazol-2-yl)piperidin-1-yl]carbonyl}-1-methylpiperidine
CID 74244064
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 95765543
1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-propoxyethanone
CID 132356722
1-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-morpholin-3-ylethanone
CID 121758228
2-morpholin-3-yl-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 121762412
2-morpholin-3-yl-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 121762413

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone (CID 70781326) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The InChIKey is LFMMIYDUCQRGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13(9-12-10-20-8-5-15-12)18-6-1-11(2-7-18)14-16-3-4-17-14/h3-4,11-12,15H,1-2,5-10H2,(H,16,17).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone has a molecular weight of 278.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone is sourced from PubChem (CID 70781326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).