3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide

C21H21N3O3 — CID 168516568

IUPAC3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide
SMILESCC1CCCN(c2ccc(C(N)=O)cc2N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C21H21N3O3/c1-13-5-4-10-23(12-13)17-9-8-14(19(22)25)11-18(17)24-20(26)15-6-2-3-7-16(15)21(24)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H2,22,25)
InChIKeyRFCPKILKCBUINO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.82
Rot. Bonds3

About 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide

3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide (PubChem CID 168516568) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide
PubChem CID168516568
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide
SMILESCC1CCCN(c2ccc(C(N)=O)cc2N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C21H21N3O3/c1-13-5-4-10-23(12-13)17-9-8-14(19(22)25)11-18(17)24-20(26)15-6-2-3-7-16(15)21(24)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H2,22,25)
InChIKeyRFCPKILKCBUINO-UHFFFAOYSA-N
XLogP2.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50968471
5-(1,3-dioxoisoindol-2-yl)-2-(3-methylpiperidin-1-yl)benzonitrile
CID 168518415
4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7831848
3-[[amino-(diaminomethylideneamino)methylidene]amino]-4-(3-methylpiperidin-1-yl)benzamide
CID 168602241
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-piperidin-1-ylbenzamide
CID 2927866
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
3-fluoro-4-(3-methylpiperidin-1-yl)benzenecarbothioamide
CID 43657687
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995
5-[(4-methylbenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083649

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide (CID 168516568) is 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide is CC1CCCN(c2ccc(C(N)=O)cc2N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide?
The InChIKey is RFCPKILKCBUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-5-4-10-23(12-13)17-9-8-14(19(22)25)11-18(17)24-20(26)15-6-2-3-7-16(15)21(24)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H2,22,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 168516568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).