1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide

C20H23N3O2 — CID 113008383

IUPAC1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-17-8-2-4-14-7-3-11-21-18(14)17)15-9-12-23(13-10-15)20(25)16-5-1-6-16/h2-4,7-8,11,15-16H,1,5-6,9-10,12-13H2,(H,22,24)
InChIKeyCWNCGYBCJJOUJN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.21
Rot. Bonds3

About 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 113008383) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID113008383
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-17-8-2-4-14-7-3-11-21-18(14)17)15-9-12-23(13-10-15)20(25)16-5-1-6-16/h2-4,7-8,11,15-16H,1,5-6,9-10,12-13H2,(H,22,24)
InChIKeyCWNCGYBCJJOUJN-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008377
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide (CID 113008383) is 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide is O=C(Nc1cccc2cccnc12)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is CWNCGYBCJJOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-17-8-2-4-14-7-3-11-21-18(14)17)15-9-12-23(13-10-15)20(25)16-5-1-6-16/h2-4,7-8,11,15-16H,1,5-6,9-10,12-13H2,(H,22,24).
What are the key properties of 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113008383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).