N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide

C12H18N4O3 — CID 81257423

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H18N4O3/c1-19-8-11(17)15-5-2-10(3-6-15)14-12(18)16-7-4-13-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,18)
InChIKeyWKVVCIVOXLCLOL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.08
Rot. Bonds3

About N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide (PubChem CID 81257423) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
PubChem CID81257423
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)n2ccnc2)CC1
InChIInChI=1S/C12H18N4O3/c1-19-8-11(17)15-5-2-10(3-6-15)14-12(18)16-7-4-13-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,18)
InChIKeyWKVVCIVOXLCLOL-UHFFFAOYSA-N
XLogP0.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
CID 130921417
N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
CID 81257900
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
N-(3-bicyclo[3.1.0]hexanyl)imidazole-1-carboxamide
CID 130898986
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
CID 164659037
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide (CID 81257423) is N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide is COCC(=O)N1CCC(NC(=O)n2ccnc2)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide?
The InChIKey is WKVVCIVOXLCLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-8-11(17)15-5-2-10(3-6-15)14-12(18)16-7-4-13-9-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,18).
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 81257423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).