1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione

C17H21N3O3 — CID 69026361

IUPAC1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione
SMILESO=C(c1ccccc1CNN1C(=O)CCCC1=O)N1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15-8-5-9-16(22)20(15)18-12-13-6-1-2-7-14(13)17(23)19-10-3-4-11-19/h1-2,6-7,18H,3-5,8-12H2
InChIKeyLOSQSLFELQEENC-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.47
Rot. Bonds4

About 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione

1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione (PubChem CID 69026361) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione
PubChem CID69026361
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione
SMILESO=C(c1ccccc1CNN1C(=O)CCCC1=O)N1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15-8-5-9-16(22)20(15)18-12-13-6-1-2-7-14(13)17(23)19-10-3-4-11-19/h1-2,6-7,18H,3-5,8-12H2
InChIKeyLOSQSLFELQEENC-UHFFFAOYSA-N
XLogP1.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.47
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

3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179408
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-(2-chlorobenzoyl)azepan-4-one
CID 84581173
methyl 2-[(piperidin-1-ylamino)methyl]benzoate
CID 83006496
1-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 992785
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione?
The IUPAC name of 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione (CID 69026361) is 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione.
What is the SMILES notation for 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione?
The canonical SMILES for 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione is O=C(c1ccccc1CNN1C(=O)CCCC1=O)N1CCCC1.
What is the InChIKey of 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione?
The InChIKey is LOSQSLFELQEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-8-5-9-16(22)20(15)18-12-13-6-1-2-7-14(13)17(23)19-10-3-4-11-19/h1-2,6-7,18H,3-5,8-12H2.
What are the key properties of 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione?
1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione has a molecular weight of 315.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione is sourced from PubChem (CID 69026361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).