4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide

C17H21N3O3 — CID 9271276

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NN1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(18-19-10-4-1-5-11-19)9-6-12-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-3,7-8H,1,4-6,9-12H2,(H,18,21)
InChIKeyKDBVPEQRXPFZRB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.58
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide

4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide (PubChem CID 9271276) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
PubChem CID9271276
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NN1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(18-19-10-4-1-5-11-19)9-6-12-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-3,7-8H,1,4-6,9-12H2,(H,18,21)
InChIKeyKDBVPEQRXPFZRB-UHFFFAOYSA-N
XLogP1.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide (CID 9271276) is 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NN1CCCCC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide?
The InChIKey is KDBVPEQRXPFZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(18-19-10-4-1-5-11-19)9-6-12-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-3,7-8H,1,4-6,9-12H2,(H,18,21).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide?
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide has a molecular weight of 315.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide is sourced from PubChem (CID 9271276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).