N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide

C13H22N4O2 — CID 125177932

IUPACN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCOCCN1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1
InChIInChI=1S/C13H22N4O2/c1-19-6-5-17-4-2-3-11(9-17)7-15-13(18)12-8-14-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyPSABQBXFRVNRAX-NSHDSACASA-N
MW266.34 g/mol
LogP0.50
Rot. Bonds6

About N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide

N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 125177932) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID125177932
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCOCCN1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1
InChIInChI=1S/C13H22N4O2/c1-19-6-5-17-4-2-3-11(9-17)7-15-13(18)12-8-14-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyPSABQBXFRVNRAX-NSHDSACASA-N
XLogP0.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 95294595
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide (CID 125177932) is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide is COCCN1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is PSABQBXFRVNRAX-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-6-5-17-4-2-3-11(9-17)7-15-13(18)12-8-14-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,14,16)(H,15,18)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 125177932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).