5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one

C18H26N2O — CID 79973429

IUPAC5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3
InChIKeyWUNBTHOKJMGXID-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one

5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one (PubChem CID 79973429) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
PubChem CID79973429
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3
InChIKeyWUNBTHOKJMGXID-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one (CID 79973429) is 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one is CC(C)CN1C(=O)CCC(N)C1c1cccc(C2CC2)c1.
What is the InChIKey of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
The InChIKey is WUNBTHOKJMGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)11-20-17(21)9-8-16(19)18(20)15-5-3-4-14(10-15)13-6-7-13/h3-5,10,12-13,16,18H,6-9,11,19H2,1-2H3.
What are the key properties of 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one?
5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 79973429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).