N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide

C14H14N2O3 — CID 17172079

IUPACN-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C14H14N2O3/c17-12(8-3-1-2-4-8)15-9-5-6-10-11(7-9)14(19)16-13(10)18/h5-8H,1-4H2,(H,15,17)(H,16,18,19)
InChIKeyHPLBBHYKPNZXSN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.70
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide

N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide (PubChem CID 17172079) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
PubChem CID17172079
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C14H14N2O3/c17-12(8-3-1-2-4-8)15-9-5-6-10-11(7-9)14(19)16-13(10)18/h5-8H,1-4H2,(H,15,17)(H,16,18,19)
InChIKeyHPLBBHYKPNZXSN-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 17172126
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
CID 162658656
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
1-cyclopropyl-3-(1,3-dioxoisoindol-5-yl)thiourea
CID 116507247
1-[(1,3-dioxoisoindol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096392
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
CID 154833960
N-(1,3-dioxoisoindol-5-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935227
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
CID 48951773
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide (CID 17172079) is N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide is O=C1NC(=O)c2cc(NC(=O)C3CCCC3)ccc21.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide?
The InChIKey is HPLBBHYKPNZXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(8-3-1-2-4-8)15-9-5-6-10-11(7-9)14(19)16-13(10)18/h5-8H,1-4H2,(H,15,17)(H,16,18,19).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide?
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 17172079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).