N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide

C17H23N5O2 — CID 91650941

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2c2cccn2C)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-15(21(3)19-12)18-16(23)17(24)22-10-5-4-7-14(22)13-8-6-9-20(13)2/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,18,23)
InChIKeyHVISUPVCLKRTRH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 91650941) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID91650941
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2c2cccn2C)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-15(21(3)19-12)18-16(23)17(24)22-10-5-4-7-14(22)13-8-6-9-20(13)2/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,18,23)
InChIKeyHVISUPVCLKRTRH-UHFFFAOYSA-N
XLogP1.76
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-N-phenylacetamide
CID 96556355
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
(5-methyl-2-phenyltriazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 42922929
2-(6-methyl-3-pyridinyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95371203
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
N-[5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]thiophen-2-yl]acetamide
CID 24653757
(3-hydroxy-2-pyridinyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 99697978
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51727015
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685159
(2,6-dimethylquinolin-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685120

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide (CID 91650941) is N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCCC2c2cccn2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is HVISUPVCLKRTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-15(21(3)19-12)18-16(23)17(24)22-10-5-4-7-14(22)13-8-6-9-20(13)2/h6,8-9,11,14H,4-5,7,10H2,1-3H3,(H,18,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 91650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).