N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide

C23H29N3O5 — CID 108555243

IUPACN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)C4CCCO4)CC3)cc2C1=O
InChIInChI=1S/C23H29N3O5/c1-14(2)13-26-22(29)17-6-5-15(12-18(17)23(26)30)21(28)25-9-7-16(8-10-25)24-20(27)19-4-3-11-31-19/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3,(H,24,27)
InChIKeyOQHQYPKTZDKWFD-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.84
Rot. Bonds5

About N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide

N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 108555243) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID108555243
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)C4CCCO4)CC3)cc2C1=O
InChIInChI=1S/C23H29N3O5/c1-14(2)13-26-22(29)17-6-5-15(12-18(17)23(26)30)21(28)25-9-7-16(8-10-25)24-20(27)19-4-3-11-31-19/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3,(H,24,27)
InChIKeyOQHQYPKTZDKWFD-UHFFFAOYSA-N
XLogP1.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
prop-2-enyl N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]carbamate
CID 108564492
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 39349762
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione;hydrochloride
CID 119517781
N,N-dimethyl-4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperazine-1-carboxamide
CID 108568252
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 55848097
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555299
5-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108544331
2-(2-methylpropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545802
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
CID 108549524

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide (CID 108555243) is N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)C4CCCO4)CC3)cc2C1=O.
What is the InChIKey of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is OQHQYPKTZDKWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-14(2)13-26-22(29)17-6-5-15(12-18(17)23(26)30)21(28)25-9-7-16(8-10-25)24-20(27)19-4-3-11-31-19/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide?
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 108555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).