N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide

C17H20N4O2 — CID 96998789

IUPACN-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
SMILESCN1CCC[C@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1
InChIInChI=1S/C17H20N4O2/c1-21-10-4-7-13(11-21)19-16(22)17(23)20-14-8-2-5-12-6-3-9-18-15(12)14/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyPWNHGEFYMBPYFP-ZDUSSCGKSA-N
MW312.37 g/mol
LogP1.38
Rot. Bonds2

About N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide

N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide (PubChem CID 96998789) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
PubChem CID96998789
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
SMILESCN1CCC[C@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1
InChIInChI=1S/C17H20N4O2/c1-21-10-4-7-13(11-21)19-16(22)17(23)20-14-8-2-5-12-6-3-9-18-15(12)14/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyPWNHGEFYMBPYFP-ZDUSSCGKSA-N
XLogP1.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 62948908
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide?
The IUPAC name of N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide (CID 96998789) is N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide?
The canonical SMILES for N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide is CN1CCC[C@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1.
What is the InChIKey of N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide?
The InChIKey is PWNHGEFYMBPYFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-10-4-7-13(11-21)19-16(22)17(23)20-14-8-2-5-12-6-3-9-18-15(12)14/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide?
N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide has a molecular weight of 312.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide is sourced from PubChem (CID 96998789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).