N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide

C12H18N4O2 — CID 125444421

IUPACN-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCC(=O)N1CCC[C@H](NC(=O)c2nc[nH]c2C)C1
InChIInChI=1S/C12H18N4O2/c1-8-11(14-7-13-8)12(18)15-10-4-3-5-16(6-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14)(H,15,18)/t10-/m0/s1
InChIKeyNWDDOBSFKMLMEN-JTQLQIEISA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds2

About N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide

N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 125444421) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID125444421
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCC(=O)N1CCC[C@H](NC(=O)c2nc[nH]c2C)C1
InChIInChI=1S/C12H18N4O2/c1-8-11(14-7-13-8)12(18)15-10-4-3-5-16(6-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14)(H,15,18)/t10-/m0/s1
InChIKeyNWDDOBSFKMLMEN-JTQLQIEISA-N
XLogP0.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide (CID 125444421) is N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide is CC(=O)N1CCC[C@H](NC(=O)c2nc[nH]c2C)C1.
What is the InChIKey of N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is NWDDOBSFKMLMEN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-11(14-7-13-8)12(18)15-10-4-3-5-16(6-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14)(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide?
N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 125444421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).