1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

C17H20N4O — CID 134789098

IUPAC1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCn1nccc1CN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N4O/c1-20-13(6-9-18-20)12-21-10-7-17(8-11-21)14-4-2-3-5-15(14)19-16(17)22/h2-6,9H,7-8,10-12H2,1H3,(H,19,22)
InChIKeyOVECCAQVCVFWNA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds2

About 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134789098) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134789098
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCn1nccc1CN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N4O/c1-20-13(6-9-18-20)12-21-10-7-17(8-11-21)14-4-2-3-5-15(14)19-16(17)22/h2-6,9H,7-8,10-12H2,1H3,(H,19,22)
InChIKeyOVECCAQVCVFWNA-UHFFFAOYSA-N
XLogP1.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gne-9822
CID 74983355
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
rac-(1R,5S,6R)-N-(2-(1-methyl-1H-indazol-3-yl)propan-2-yl)-3-azabicyclo(3.1.0)hexane-6-carboxamide
CID 86294248
2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10636110
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-[(1R,5S)-8-[6-[methyl(propan-2-yl)amino]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70696826
N-[1-[(1R)-2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645541
N-[1-[(1S)-3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645544
6,6-dimethyl-N-[1-[(S)-phenyl(piperidin-4-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645546
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 134789098) is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is Cn1nccc1CN1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is OVECCAQVCVFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-13(6-9-18-20)12-21-10-7-17(8-11-21)14-4-2-3-5-15(14)19-16(17)22/h2-6,9H,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).