N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide

C13H22N4O2 — CID 131923823

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCN1CCCCC1CO
InChIInChI=1S/C13H22N4O2/c1-16-10-14-8-12(16)13(19)15-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,15,19)
InChIKeyASDLYWGLNQJCBX-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.00
Rot. Bonds5

About N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide (PubChem CID 131923823) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
PubChem CID131923823
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCN1CCCCC1CO
InChIInChI=1S/C13H22N4O2/c1-16-10-14-8-12(16)13(19)15-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,15,19)
InChIKeyASDLYWGLNQJCBX-UHFFFAOYSA-N
XLogP-0.00
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide (CID 131923823) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCN1CCCCC1CO.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide?
The InChIKey is ASDLYWGLNQJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-10-14-8-12(16)13(19)15-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,15,19).
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 131923823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).