3-hydroxy-4-(propan-2-ylamino)piperidin-2-one

C8H16N2O2 — CID 169259074

IUPAC3-hydroxy-4-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCNC(=O)C1O
InChIInChI=1S/C8H16N2O2/c1-5(2)10-6-3-4-9-8(12)7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)
InChIKeyOSPBDMDJDLPONS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.77
Rot. Bonds2

About 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one

3-hydroxy-4-(propan-2-ylamino)piperidin-2-one (PubChem CID 169259074) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(propan-2-ylamino)piperidin-2-one
PubChem CID169259074
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-hydroxy-4-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCNC(=O)C1O
InChIInChI=1S/C8H16N2O2/c1-5(2)10-6-3-4-9-8(12)7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)
InChIKeyOSPBDMDJDLPONS-UHFFFAOYSA-N
XLogP-0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one (CID 169259074) is 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCNC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one?
The InChIKey is OSPBDMDJDLPONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)10-6-3-4-9-8(12)7(6)11/h5-7,10-11H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one?
3-hydroxy-4-(propan-2-ylamino)piperidin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 169259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).