[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

C13H21N3O3 — CID 118763011

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C13H21N3O3/c1-15-8-5-14-12(15)13(17)16-6-3-11(4-7-16)19-10-9-18-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyAIFJYDDZWRXHMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.69
Rot. Bonds5

About [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 118763011) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID118763011
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C13H21N3O3/c1-15-8-5-14-12(15)13(17)16-6-3-11(4-7-16)19-10-9-18-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyAIFJYDDZWRXHMI-UHFFFAOYSA-N
XLogP0.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53623121
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 53617604
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53618996
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197184
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
CID 110197967
4-(1-ethyl-1H-imidazol-2-yl)-1-(3-methoxypropanoyl)piperidine
CID 72911298
(2S)-N-methyl-2-(2-methylimidazol-1-yl)-N-(4-morpholin-4-ylbutyl)propanamide
CID 100068024
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 60500295
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95344007
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95344008
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95348913
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95348914

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 118763011) is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is COCCOC1CCN(C(=O)c2nccn2C)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is AIFJYDDZWRXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-8-5-14-12(15)13(17)16-6-3-11(4-7-16)19-10-9-18-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 118763011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).