2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide

C23H31N3O3 — CID 119823932

IUPAC2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CCNCC1
InChIInChI=1S/C23H31N3O3/c1-2-14-25(17-10-12-24-13-11-17)21(27)16-8-9-19-20(15-16)23(29)26(22(19)28)18-6-4-3-5-7-18/h8-9,15,17-18,24H,2-7,10-14H2,1H3
InChIKeyVCRGITZLNFKCQJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.22
Rot. Bonds5

About 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide (PubChem CID 119823932) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide
PubChem CID119823932
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CCNCC1
InChIInChI=1S/C23H31N3O3/c1-2-14-25(17-10-12-24-13-11-17)21(27)16-8-9-19-20(15-16)23(29)26(22(19)28)18-6-4-3-5-7-18/h8-9,15,17-18,24H,2-7,10-14H2,1H3
InChIKeyVCRGITZLNFKCQJ-UHFFFAOYSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide with MolForge

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Related Compounds

2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
CID 119206160
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
2-cyclohexyl-1,3-dioxo-N-(3-piperazin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 119391733
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide (CID 119823932) is 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide is CCCN(C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CCNCC1.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide?
The InChIKey is VCRGITZLNFKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-14-25(17-10-12-24-13-11-17)21(27)16-8-9-19-20(15-16)23(29)26(22(19)28)18-6-4-3-5-7-18/h8-9,15,17-18,24H,2-7,10-14H2,1H3.
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-piperidin-4-yl-N-propylisoindole-5-carboxamide is sourced from PubChem (CID 119823932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).