N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide

C10H14N4O2 — CID 125130512

IUPACN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cnc[nH]2)CCC1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-7(2-3-9(14)15)13-10(16)8-4-11-6-12-8/h4,6-7H,2-3,5H2,1H3,(H,11,12)(H,13,16)/t7-/m0/s1
InChIKeyVFVCZAMHQGFVDH-ZETCQYMHSA-N
MW222.25 g/mol
LogP-0.24
Rot. Bonds2

About N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide

N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 125130512) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID125130512
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cnc[nH]2)CCC1=O
InChIInChI=1S/C10H14N4O2/c1-14-5-7(2-3-9(14)15)13-10(16)8-4-11-6-12-8/h4,6-7H,2-3,5H2,1H3,(H,11,12)(H,13,16)/t7-/m0/s1
InChIKeyVFVCZAMHQGFVDH-ZETCQYMHSA-N
XLogP-0.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide (CID 125130512) is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide is CN1C[C@@H](NC(=O)c2cnc[nH]2)CCC1=O.
What is the InChIKey of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is VFVCZAMHQGFVDH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-5-7(2-3-9(14)15)13-10(16)8-4-11-6-12-8/h4,6-7H,2-3,5H2,1H3,(H,11,12)(H,13,16)/t7-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide?
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 125130512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).