(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one

C15H22N2O — CID 95654548

IUPAC(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@]1(NCc2ccccc2)CCCNC1=O
InChIInChI=1S/C15H22N2O/c1-12(2)15(9-6-10-16-14(15)18)17-11-13-7-4-3-5-8-13/h3-5,7-8,12,17H,6,9-11H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyPZYJFMSZSNSGGE-OAHLLOKOSA-N
MW246.35 g/mol
LogP2.08
Rot. Bonds4

About (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one

(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one (PubChem CID 95654548) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one
PubChem CID95654548
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@]1(NCc2ccccc2)CCCNC1=O
InChIInChI=1S/C15H22N2O/c1-12(2)15(9-6-10-16-14(15)18)17-11-13-7-4-3-5-8-13/h3-5,7-8,12,17H,6,9-11H2,1-2H3,(H,16,18)/t15-/m1/s1
InChIKeyPZYJFMSZSNSGGE-OAHLLOKOSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one?
The IUPAC name of (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one (CID 95654548) is (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one is CC(C)[C@]1(NCc2ccccc2)CCCNC1=O.
What is the InChIKey of (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one?
The InChIKey is PZYJFMSZSNSGGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)15(9-6-10-16-14(15)18)17-11-13-7-4-3-5-8-13/h3-5,7-8,12,17H,6,9-11H2,1-2H3,(H,16,18)/t15-/m1/s1.
What are the key properties of (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one?
(3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzylamino)-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 95654548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).