(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone

C15H21N3O — CID 59274108

IUPAC(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)CN(C)C3)CC1
InChIInChI=1S/C15H21N3O/c1-16-5-7-18(8-6-16)15(19)12-3-4-13-10-17(2)11-14(13)9-12/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyFWQZAONIEFOMEM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.02
Rot. Bonds1

About (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone

(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 59274108) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID59274108
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)CN(C)C3)CC1
InChIInChI=1S/C15H21N3O/c1-16-5-7-18(8-6-16)15(19)12-3-4-13-10-17(2)11-14(13)9-12/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyFWQZAONIEFOMEM-UHFFFAOYSA-N
XLogP1.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 84613952
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
CID 122439160
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
CID 174584749
CID 174584749
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 59274108) is (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3c(c2)CN(C)C3)CC1.
What is the InChIKey of (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FWQZAONIEFOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-5-7-18(8-6-16)15(19)12-3-4-13-10-17(2)11-14(13)9-12/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59274108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).