2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide

C14H18N6O2 — CID 124571602

IUPAC2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cn1
InChIInChI=1S/C14H18N6O2/c1-19-9-10(8-17-19)18-13(21)14(22)20-7-3-2-4-11(20)12-15-5-6-16-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)(H,18,21)/t11-/m1/s1
InChIKeyXKHFTJRQDXDJRY-LLVKDONJSA-N
MW302.34 g/mol
LogP0.84
Rot. Bonds2

About 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide

2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 124571602) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
PubChem CID124571602
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cn1
InChIInChI=1S/C14H18N6O2/c1-19-9-10(8-17-19)18-13(21)14(22)20-7-3-2-4-11(20)12-15-5-6-16-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)(H,18,21)/t11-/m1/s1
InChIKeyXKHFTJRQDXDJRY-LLVKDONJSA-N
XLogP0.84
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 86778865
(2S)-2-(1H-imidazol-2-yl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]piperidine-1-carboxamide
CID 97054254
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 139009277
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
cyclopropyl-[(3R)-3-[(2R)-2-(1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97084883
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 86796873
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 97054065

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide (CID 124571602) is 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide is Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cn1.
What is the InChIKey of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is XKHFTJRQDXDJRY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19-9-10(8-17-19)18-13(21)14(22)20-7-3-2-4-11(20)12-15-5-6-16-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)(H,18,21)/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide?
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 302.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 124571602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).