(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione

C10H14N4O2 — CID 39221170

IUPAC(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1[nH]ncc1CN1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C10H14N4O2/c1-6-7(4-12-13-6)5-14-9(15)3-2-8(11)10(14)16/h4,8H,2-3,5,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyMRYRNMXWCKLOTF-QMMMGPOBSA-N
MW222.25 g/mol
LogP-0.31
Rot. Bonds2

About (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione

(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione (PubChem CID 39221170) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
PubChem CID39221170
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1[nH]ncc1CN1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C10H14N4O2/c1-6-7(4-12-13-6)5-14-9(15)3-2-8(11)10(14)16/h4,8H,2-3,5,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyMRYRNMXWCKLOTF-QMMMGPOBSA-N
XLogP-0.31
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione (CID 39221170) is (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione is Cc1[nH]ncc1CN1C(=O)CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is MRYRNMXWCKLOTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-7(4-12-13-6)5-14-9(15)3-2-8(11)10(14)16/h4,8H,2-3,5,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 39221170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).