benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate

C24H25N3O5 — CID 108564521

IUPACbenzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O5/c1-16(27-22(29)19-9-5-6-10-20(19)23(27)30)21(28)26-13-11-18(12-14-26)25-24(31)32-15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,25,31)
InChIKeyHMLNGEQSKRQZOD-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.59
Rot. Bonds5

About benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate

benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 108564521) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
PubChem CID108564521
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namebenzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O5/c1-16(27-22(29)19-9-5-6-10-20(19)23(27)30)21(28)26-13-11-18(12-14-26)25-24(31)32-15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,25,31)
InChIKeyHMLNGEQSKRQZOD-UHFFFAOYSA-N
XLogP2.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
CID 108564528
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
CID 108556080
benzyl N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]carbamate
CID 108571870
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557373
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate (CID 108564521) is benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate is CC(C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is HMLNGEQSKRQZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16(27-22(29)19-9-5-6-10-20(19)23(27)30)21(28)26-13-11-18(12-14-26)25-24(31)32-15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,25,31).
What are the key properties of benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate?
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108564521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).