1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

C25H31N5O2 — CID 97376072

IUPAC1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
SMILESCN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1
InChIInChI=1S/C25H31N5O2/c1-28-12-14-29(15-13-28)23(31)16-19-17-25(21-5-3-2-4-20(19)21)6-10-30(11-7-25)24(32)22-18-26-8-9-27-22/h2-5,8-9,18-19H,6-7,10-17H2,1H3/t19-/m1/s1
InChIKeyWTRKDCDMPJKXRO-LJQANCHMSA-N
MW433.56 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (PubChem CID 97376072) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
PubChem CID97376072
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
SMILESCN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1
InChIInChI=1S/C25H31N5O2/c1-28-12-14-29(15-13-28)23(31)16-19-17-25(21-5-3-2-4-20(19)21)6-10-30(11-7-25)24(32)22-18-26-8-9-27-22/h2-5,8-9,18-19H,6-7,10-17H2,1H3/t19-/m1/s1
InChIKeyWTRKDCDMPJKXRO-LJQANCHMSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131655232
N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131651674
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131647651
2-ethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one;hydrochloride
CID 155843798
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376046
1-(4-methylpiperazin-1-yl)-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661558
2-[(1R)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376049

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (CID 97376072) is 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is WTRKDCDMPJKXRO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28-12-14-29(15-13-28)23(31)16-19-17-25(21-5-3-2-4-20(19)21)6-10-30(11-7-25)24(32)22-18-26-8-9-27-22/h2-5,8-9,18-19H,6-7,10-17H2,1H3/t19-/m1/s1.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 97376072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).