(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one

C15H24N4O — CID 11346439

IUPAC(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
SMILESN[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H24N4O/c16-14(15(20)19-10-2-1-3-11-19)6-9-18-12-13-4-7-17-8-5-13/h4-5,7-8,14,18H,1-3,6,9-12,16H2/t14-/m0/s1
InChIKeyVMCLFUIUGJWEIO-AWEZNQCLSA-N
MW276.38 g/mol
LogP0.90
Rot. Bonds6

About (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one (PubChem CID 11346439) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
PubChem CID11346439
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
SMILESN[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H24N4O/c16-14(15(20)19-10-2-1-3-11-19)6-9-18-12-13-4-7-17-8-5-13/h4-5,7-8,14,18H,1-3,6,9-12,16H2/t14-/m0/s1
InChIKeyVMCLFUIUGJWEIO-AWEZNQCLSA-N
XLogP0.90
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one?
The IUPAC name of (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one (CID 11346439) is (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one is N[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one?
The InChIKey is VMCLFUIUGJWEIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4O/c16-14(15(20)19-10-2-1-3-11-19)6-9-18-12-13-4-7-17-8-5-13/h4-5,7-8,14,18H,1-3,6,9-12,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one?
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one is sourced from PubChem (CID 11346439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).