(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione

C15H18N2O2 — CID 39221305

IUPAC(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(CC2(c3ccccc3)CC2)C1=O
InChIInChI=1S/C15H18N2O2/c16-12-6-7-13(18)17(14(12)19)10-15(8-9-15)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2/t12-/m0/s1
InChIKeyVMFSOFMIWSOXNF-LBPRGKRZSA-N
MW258.32 g/mol
LogP1.19
Rot. Bonds3

About (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione

(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione (PubChem CID 39221305) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione
PubChem CID39221305
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(CC2(c3ccccc3)CC2)C1=O
InChIInChI=1S/C15H18N2O2/c16-12-6-7-13(18)17(14(12)19)10-15(8-9-15)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2/t12-/m0/s1
InChIKeyVMFSOFMIWSOXNF-LBPRGKRZSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-dioxo-2-[(1-phenylcyclopropyl)methyl]-4H-isoquinolin-4-yl]acetic acid
CID 110457572
(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione
CID 39221421
(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione
CID 39221150
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
CID 107913499
(5R)-1-[(4-phenyloxan-4-yl)methyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 42329892
3-amino-1-(2-propoxyethyl)piperidine-2,6-dione
CID 106456413
(1-phenylcyclopropyl)methanesulfonamide
CID 112639905
4-methyl-3-oxo-2-[(1-phenylcyclopropyl)methyl]-1H-isoindole-1-carbonitrile
CID 110448096
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione (CID 39221305) is (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione is N[C@H]1CCC(=O)N(CC2(c3ccccc3)CC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione?
The InChIKey is VMFSOFMIWSOXNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-12-6-7-13(18)17(14(12)19)10-15(8-9-15)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2/t12-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione?
(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione has a molecular weight of 258.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 39221305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).