(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate

C12H17N3O3 — CID 135338878

IUPAC(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
SMILESCC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H17N3O3/c1-10(16)14-5-2-11(3-6-14)8-18-12(17)15-7-4-13-9-15/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyHMMJDSGJWCVYCH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.13
Rot. Bonds2

About (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate

(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate (PubChem CID 135338878) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
PubChem CID135338878
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
SMILESCC(=O)N1CCC(COC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H17N3O3/c1-10(16)14-5-2-11(3-6-14)8-18-12(17)15-7-4-13-9-15/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyHMMJDSGJWCVYCH-UHFFFAOYSA-N
XLogP1.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylbutyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045617
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
2-methoxyethyl 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinecarboxylate
CID 70775664
1-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 110269228
tert-Butyl 4-((1H-imidazole-1-carbonyl)oxy)piperidine-1-carboxylate
CID 137950586
US10030012, Example 83
CID 78318449
US10030012, Example 1
CID 78318680
US10030012, Example 9
CID 78318741
2-Ethoxy-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52992542
1-[4-[(2-Ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 56724024
ethyl 2-(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoacetate
CID 56724025

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate?
The IUPAC name of (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate (CID 135338878) is (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate?
The canonical SMILES for (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate is CC(=O)N1CCC(COC(=O)n2ccnc2)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate?
The InChIKey is HMMJDSGJWCVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-10(16)14-5-2-11(3-6-14)8-18-12(17)15-7-4-13-9-15/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate?
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate is sourced from PubChem (CID 135338878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).