1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C25H30N2O3 — CID 14969538

IUPAC1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H30N2O3/c1-2-3-18-30-22-11-8-20(9-12-22)25(29)26-16-14-21(15-17-26)27-23-7-5-4-6-19(23)10-13-24(27)28/h4-9,11-12,21H,2-3,10,13-18H2,1H3
InChIKeyDCFPOFBRPADJDQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.45
Rot. Bonds6

About 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969538) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969538
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H30N2O3/c1-2-3-18-30-22-11-8-20(9-12-22)25(29)26-16-14-21(15-17-26)27-23-7-5-4-6-19(23)10-13-24(27)28/h4-9,11-12,21H,2-3,10,13-18H2,1H3
InChIKeyDCFPOFBRPADJDQ-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969538) is 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is DCFPOFBRPADJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-3-18-30-22-11-8-20(9-12-22)25(29)26-16-14-21(15-17-26)27-23-7-5-4-6-19(23)10-13-24(27)28/h4-9,11-12,21H,2-3,10,13-18H2,1H3.
What are the key properties of 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).