(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one

C23H31N3O — CID 11474019

IUPAC(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2/t22-/m0/s1
InChIKeyTZEHYYIAYWKDLU-QFIPXVFZSA-N
MW365.52 g/mol
LogP3.42
Rot. Bonds8

About (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one

(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one (PubChem CID 11474019) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
PubChem CID11474019
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2/t22-/m0/s1
InChIKeyTZEHYYIAYWKDLU-QFIPXVFZSA-N
XLogP3.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one (CID 11474019) is (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one is N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The InChIKey is TZEHYYIAYWKDLU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2/t22-/m0/s1.
What are the key properties of (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
(2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one has a molecular weight of 365.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 11474019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).