N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide

C23H23N3O4 — CID 56508448

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1
InChIInChI=1S/C23H23N3O4/c1-2-20(27)25-12-6-7-15(14-25)21(28)24-16-8-5-9-17(13-16)26-22(29)18-10-3-4-11-19(18)23(26)30/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H,24,28)
InChIKeyUUVFKMPPGGPGKZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.07
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 56508448) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID56508448
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1
InChIInChI=1S/C23H23N3O4/c1-2-20(27)25-12-6-7-15(14-25)21(28)24-16-8-5-9-17(13-16)26-22(29)18-10-3-4-11-19(18)23(26)30/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H,24,28)
InChIKeyUUVFKMPPGGPGKZ-UHFFFAOYSA-N
XLogP3.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.07
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

N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55882997
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119773958
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 56506787
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide (CID 56508448) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is UUVFKMPPGGPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-20(27)25-12-6-7-15(14-25)21(28)24-16-8-5-9-17(13-16)26-22(29)18-10-3-4-11-19(18)23(26)30/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H,24,28).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 56508448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).