N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C23H29N3O — CID 56568880

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)CCC3)CC1
InChIInChI=1S/C23H29N3O/c1-16(2)10-13-26-14-11-17(12-15-26)24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10,17H,5,7,9,11-15H2,1-2H3,(H,24,27)
InChIKeyPBDKEQLGSVTKFK-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 56568880) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID56568880
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)CCC3)CC1
InChIInChI=1S/C23H29N3O/c1-16(2)10-13-26-14-11-17(12-15-26)24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10,17H,5,7,9,11-15H2,1-2H3,(H,24,27)
InChIKeyPBDKEQLGSVTKFK-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 56568880) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CC(C)=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)CCC3)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is PBDKEQLGSVTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)10-13-26-14-11-17(12-15-26)24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10,17H,5,7,9,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 56568880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).