3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N8O3 — CID 167725211

IUPAC3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H24N8O3/c29-15-5-4-14(17(30)23-15)28-11-13-3-1-2-12(16(13)18(28)31)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,14,21-22H,4-11H2,(H,23,29,30)(H,24,25,26,27)
InChIKeyQZSOWLSOXCBKQB-UHFFFAOYSA-N
MW424.47 g/mol
LogP-0.67
Rot. Bonds5

About 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167725211) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167725211
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H24N8O3/c29-15-5-4-14(17(30)23-15)28-11-13-3-1-2-12(16(13)18(28)31)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,14,21-22H,4-11H2,(H,23,29,30)(H,24,25,26,27)
InChIKeyQZSOWLSOXCBKQB-UHFFFAOYSA-N
XLogP-0.67
TPSA145.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167737689
3-[4-[[(3-cyclopropylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734515
3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716573
3-[4-(4,8-diazabicyclo[5.1.0]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719888
3-[4-[[2-(4-methylpiperidin-4-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742262
3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738881
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092
3-[4-(4,7-diazaspiro[2.6]nonan-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717012
3-[3-oxo-4-[[[1-(piperazine-1-carbonyl)cyclohexyl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737907
3-[4-[[(2,2-dimethylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736631
3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740932
3-[3-oxo-4-[[[6-(trifluoromethyl)-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714578

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167725211) is 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QZSOWLSOXCBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c29-15-5-4-14(17(30)23-15)28-11-13-3-1-2-12(16(13)18(28)31)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,14,21-22H,4-11H2,(H,23,29,30)(H,24,25,26,27).
What are the key properties of 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 424.47 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167725211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).