(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide

C16H19N3O3 — CID 171063396

IUPAC(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C16H19N3O3/c17-15(21)11-7-8-19(9-11)12-3-1-10(2-4-12)13-5-6-14(20)18-16(13)22/h1-4,11,13H,5-9H2,(H2,17,21)(H,18,20,22)/t11-,13?/m1/s1
InChIKeyLTMAUZNTURMFBL-JTDNENJMSA-N
MW301.35 g/mol
LogP0.52
Rot. Bonds3

About (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 171063396) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID171063396
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C16H19N3O3/c17-15(21)11-7-8-19(9-11)12-3-1-10(2-4-12)13-5-6-14(20)18-16(13)22/h1-4,11,13H,5-9H2,(H2,17,21)(H,18,20,22)/t11-,13?/m1/s1
InChIKeyLTMAUZNTURMFBL-JTDNENJMSA-N
XLogP0.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197826
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167190159
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
3-[4-[3-[2-[4-(3-aminophenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 172570020
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
CID 178116591
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 171063396) is (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1.
What is the InChIKey of (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is LTMAUZNTURMFBL-JTDNENJMSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-15(21)11-7-8-19(9-11)12-3-1-10(2-4-12)13-5-6-14(20)18-16(13)22/h1-4,11,13H,5-9H2,(H2,17,21)(H,18,20,22)/t11-,13?/m1/s1.
What are the key properties of (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171063396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).