[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

C25H24N4O3 — CID 139512142

IUPAC[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESO=C(O)NC1c2ccccc2CC12CCN(c1cnc(C(=O)c3ccccc3)cn1)CC2
InChIInChI=1S/C25H24N4O3/c30-22(17-6-2-1-3-7-17)20-15-27-21(16-26-20)29-12-10-25(11-13-29)14-18-8-4-5-9-19(18)23(25)28-24(31)32/h1-9,15-16,23,28H,10-14H2,(H,31,32)
InChIKeyKIYCLBVVLVABMH-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.86
Rot. Bonds4

About [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (PubChem CID 139512142) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.

Molecular Properties

Compound Name[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
PubChem CID139512142
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESO=C(O)NC1c2ccccc2CC12CCN(c1cnc(C(=O)c3ccccc3)cn1)CC2
InChIInChI=1S/C25H24N4O3/c30-22(17-6-2-1-3-7-17)20-15-27-21(16-26-20)29-12-10-25(11-13-29)14-18-8-4-5-9-19(18)23(25)28-24(31)32/h1-9,15-16,23,28H,10-14H2,(H,31,32)
InChIKeyKIYCLBVVLVABMH-UHFFFAOYSA-N
XLogP3.86
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512207
tert-butyl N-[(1S)-1'-(5-cyclopentyloxypyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774245
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
CID 175463003
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
2-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 139512216
tert-butyl N-[(1S)-1'-(4-iodo-6-methyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 149051861
methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
tert-butyl N-[(1S)-1'-(6-bromo-1,2,4-triazin-3-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155623276
N-spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ylacetamide
CID 21433683
sodium;2-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone;2-bromo-1-(4-methylphenyl)ethanone;tert-butyl N-[(1S)-1'-[5-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;formic acid;5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-thiolate
CID 162212180
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709
2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide
CID 129488212

Frequently Asked Questions

What is the IUPAC name of [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The IUPAC name of [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (CID 139512142) is [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.
What is the SMILES notation for [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The canonical SMILES for [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is O=C(O)NC1c2ccccc2CC12CCN(c1cnc(C(=O)c3ccccc3)cn1)CC2.
What is the InChIKey of [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The InChIKey is KIYCLBVVLVABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-22(17-6-2-1-3-7-17)20-15-27-21(16-26-20)29-12-10-25(11-13-29)14-18-8-4-5-9-19(18)23(25)28-24(31)32/h1-9,15-16,23,28H,10-14H2,(H,31,32).
What are the key properties of [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid has a molecular weight of 428.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is sourced from PubChem (CID 139512142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).