N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide

C20H27N3O2 — CID 94812474

IUPACN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C20H27N3O2/c1-14-10-15(2)13-23(12-14)9-5-8-21-19(24)17-11-16-6-3-4-7-18(16)22-20(17)25/h3-4,6-7,11,14-15H,5,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyXQTSNMAPZRYWNV-GJZGRUSLSA-N
MW341.45 g/mol
LogP2.63
Rot. Bonds5

About N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide

N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 94812474) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID94812474
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C20H27N3O2/c1-14-10-15(2)13-23(12-14)9-5-8-21-19(24)17-11-16-6-3-4-7-18(16)22-20(17)25/h3-4,6-7,11,14-15H,5,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyXQTSNMAPZRYWNV-GJZGRUSLSA-N
XLogP2.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide (CID 94812474) is N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide is C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XQTSNMAPZRYWNV-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-10-15(2)13-23(12-14)9-5-8-21-19(24)17-11-16-6-3-4-7-18(16)22-20(17)25/h3-4,6-7,11,14-15H,5,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t14-,15-/m0/s1.
What are the key properties of N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 94812474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).