(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide

C22H34N4O3 — CID 69318563

IUPAC(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide
SMILESCC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)Nc1cccnc1
InChIInChI=1S/C22H34N4O3/c1-18(27)9-4-2-5-11-20(22(29)24-19-10-8-13-23-17-19)25-21(28)12-16-26-14-6-3-7-15-26/h8,10,13,17,20H,2-7,9,11-12,14-16H2,1H3,(H,24,29)(H,25,28)/t20-/m0/s1
InChIKeyQLGLLOJGSSIRDX-FQEVSTJZSA-N
MW402.54 g/mol
LogP2.92
Rot. Bonds12

About (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide

(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide (PubChem CID 69318563) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide.

Molecular Properties

Compound Name(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide
PubChem CID69318563
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide
SMILESCC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)Nc1cccnc1
InChIInChI=1S/C22H34N4O3/c1-18(27)9-4-2-5-11-20(22(29)24-19-10-8-13-23-17-19)25-21(28)12-16-26-14-6-3-7-15-26/h8,10,13,17,20H,2-7,9,11-12,14-16H2,1H3,(H,24,29)(H,25,28)/t20-/m0/s1
InChIKeyQLGLLOJGSSIRDX-FQEVSTJZSA-N
XLogP2.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide?
The IUPAC name of (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide (CID 69318563) is (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide.
What is the SMILES notation for (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide?
The canonical SMILES for (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide is CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)Nc1cccnc1.
What is the InChIKey of (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide?
The InChIKey is QLGLLOJGSSIRDX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-18(27)9-4-2-5-11-20(22(29)24-19-10-8-13-23-17-19)25-21(28)12-16-26-14-6-3-7-15-26/h8,10,13,17,20H,2-7,9,11-12,14-16H2,1H3,(H,24,29)(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide?
(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide has a molecular weight of 402.54 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-pyridin-3-ylnonanamide is sourced from PubChem (CID 69318563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).