methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride

C19H23ClN4O2 — CID 155774294

IUPACmethyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1nccnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-25-18(24)15-17(22-9-8-21-15)23-10-6-19(7-11-23)12-13-4-2-3-5-14(13)16(19)20;/h2-5,8-9,16H,6-7,10-12,20H2,1H3;1H/t16-;/m1./s1
InChIKeyPKOIGXDTEJLOPY-PKLMIRHRSA-N
MW374.87 g/mol
LogP2.53
Rot. Bonds2

About methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride

methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride (PubChem CID 155774294) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
PubChem CID155774294
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Namemethyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1nccnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-25-18(24)15-17(22-9-8-21-15)23-10-6-19(7-11-23)12-13-4-2-3-5-14(13)16(19)20;/h2-5,8-9,16H,6-7,10-12,20H2,1H3;1H/t16-;/m1./s1
InChIKeyPKOIGXDTEJLOPY-PKLMIRHRSA-N
XLogP2.53
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride with MolForge

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Related Compounds

[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
methyl 6-bromo-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 149011664
[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[4,5-b]pyrazin-5-yl]methyl acetate
CID 139512008
1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone
CID 172500518
1-[5-amino-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2-methoxyethanone
CID 172500566
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
CID 154662934
4-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynoxy]benzamide
CID 168858912
1'-methylsulfonylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155649406
4-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynylamino]benzamide
CID 162680644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride (CID 155774294) is methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride is COC(=O)c1nccnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.Cl.
What is the InChIKey of methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is PKOIGXDTEJLOPY-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-25-18(24)15-17(22-9-8-21-15)23-10-6-19(7-11-23)12-13-4-2-3-5-14(13)16(19)20;/h2-5,8-9,16H,6-7,10-12,20H2,1H3;1H/t16-;/m1./s1.
What are the key properties of methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride?
methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155774294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).