1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide

C20H25N3O2 — CID 113008357

IUPAC1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O2/c1-14(2)13-18(24)23-11-8-16(9-12-23)20(25)22-17-7-3-5-15-6-4-10-21-19(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyXQSBDZGCHJWSKH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide

1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 113008357) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID113008357
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H25N3O2/c1-14(2)13-18(24)23-11-8-16(9-12-23)20(25)22-17-7-3-5-15-6-4-10-21-19(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyXQSBDZGCHJWSKH-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008377
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide (CID 113008357) is 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is XQSBDZGCHJWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)13-18(24)23-11-8-16(9-12-23)20(25)22-17-7-3-5-15-6-4-10-21-19(15)17/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113008357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).