(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione

C11H13N3O2 — CID 39221150

IUPAC(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C11H13N3O2/c12-9-1-2-10(15)14(11(9)16)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2/t9-/m0/s1
InChIKeyNXUJUKZOJMULHD-VIFPVBQESA-N
MW219.24 g/mol
LogP0.06
Rot. Bonds2

About (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione

(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione (PubChem CID 39221150) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione
PubChem CID39221150
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C11H13N3O2/c12-9-1-2-10(15)14(11(9)16)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2/t9-/m0/s1
InChIKeyNXUJUKZOJMULHD-VIFPVBQESA-N
XLogP0.06
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.06
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

(3aR,4S,7R,7aR)-2-(pyridin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11874278
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80549237
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
4-[[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]methyl]benzoic acid
CID 59737379
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
CID 86299954
3-amino-1-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 21478504
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione (CID 39221150) is (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione is N[C@H]1CCC(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione?
The InChIKey is NXUJUKZOJMULHD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O2/c12-9-1-2-10(15)14(11(9)16)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione?
(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 39221150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).