1-methyl-5-(propan-2-ylamino)piperidin-2-one

C9H18N2O — CID 64655115

IUPAC1-methyl-5-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)10-8-4-5-9(12)11(3)6-8/h7-8,10H,4-6H2,1-3H3
InChIKeyRIZQPPDCSQWTHE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About 1-methyl-5-(propan-2-ylamino)piperidin-2-one

1-methyl-5-(propan-2-ylamino)piperidin-2-one (PubChem CID 64655115) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-5-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(propan-2-ylamino)piperidin-2-one
PubChem CID64655115
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-5-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)10-8-4-5-9(12)11(3)6-8/h7-8,10H,4-6H2,1-3H3
InChIKeyRIZQPPDCSQWTHE-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(propan-2-ylamino)piperidin-2-one (CID 64655115) is 1-methyl-5-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(propan-2-ylamino)piperidin-2-one?
The InChIKey is RIZQPPDCSQWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)10-8-4-5-9(12)11(3)6-8/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-methyl-5-(propan-2-ylamino)piperidin-2-one?
1-methyl-5-(propan-2-ylamino)piperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 64655115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).