(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C20H26N4O — CID 97400469

IUPAC(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21
InChIInChI=1S/C20H26N4O/c1-21-19(25)17-11-20(18-6-4-3-5-16(17)18)7-9-24(10-8-20)14-15-12-22-23(2)13-15/h3-6,12-13,17H,7-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyGMRQHKQSXMFHFM-QGZVFWFLSA-N
MW338.46 g/mol
LogP2.19
Rot. Bonds3

About (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 97400469) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID97400469
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCNC(=O)[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21
InChIInChI=1S/C20H26N4O/c1-21-19(25)17-11-20(18-6-4-3-5-16(17)18)7-9-24(10-8-20)14-15-12-22-23(2)13-15/h3-6,12-13,17H,7-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyGMRQHKQSXMFHFM-QGZVFWFLSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 97400469) is (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CNC(=O)[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21.
What is the InChIKey of (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is GMRQHKQSXMFHFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-21-19(25)17-11-20(18-6-4-3-5-16(17)18)7-9-24(10-8-20)14-15-12-22-23(2)13-15/h3-6,12-13,17H,7-11,14H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
(1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 97400469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).