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

C17H28N4O2 — CID 26398231

IUPAC3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-19-9-6-18-16(19)14-20-7-4-15(5-8-20)2-3-17(22)21-10-12-23-13-11-21/h6,9,15H,2-5,7-8,10-14H2,1H3
InChIKeyYMAHKZFMOTYMDZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.27
Rot. Bonds5

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

3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 26398231) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID26398231
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-19-9-6-18-16(19)14-20-7-4-15(5-8-20)2-3-17(22)21-10-12-23-13-11-21/h6,9,15H,2-5,7-8,10-14H2,1H3
InChIKeyYMAHKZFMOTYMDZ-UHFFFAOYSA-N
XLogP1.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(1-methylimidazol-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-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 26398231) is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is Cn1ccnc1CN1CCC(CCC(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YMAHKZFMOTYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-9-6-18-16(19)14-20-7-4-15(5-8-20)2-3-17(22)21-10-12-23-13-11-21/h6,9,15H,2-5,7-8,10-14H2,1H3.
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 26398231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).