(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one

C20H27N3O — CID 11232605

IUPAC(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O/c21-19(20(24)23-12-4-1-5-13-23)10-11-22-15-16-8-9-17-6-2-3-7-18(17)14-16/h2-3,6-9,14,19,22H,1,4-5,10-13,15,21H2/t19-/m0/s1
InChIKeyJKXFWQOIZVUOCW-IBGZPJMESA-N
MW325.46 g/mol
LogP2.66
Rot. Bonds6

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

(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one (PubChem CID 11232605) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one
PubChem CID11232605
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O/c21-19(20(24)23-12-4-1-5-13-23)10-11-22-15-16-8-9-17-6-2-3-7-18(17)14-16/h2-3,6-9,14,19,22H,1,4-5,10-13,15,21H2/t19-/m0/s1
InChIKeyJKXFWQOIZVUOCW-IBGZPJMESA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one (CID 11232605) is (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one is N[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one?
The InChIKey is JKXFWQOIZVUOCW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c21-19(20(24)23-12-4-1-5-13-23)10-11-22-15-16-8-9-17-6-2-3-7-18(17)14-16/h2-3,6-9,14,19,22H,1,4-5,10-13,15,21H2/t19-/m0/s1.
What are the key properties of (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one?
(2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one has a molecular weight of 325.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(naphthalen-2-ylmethylamino)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 11232605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).