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

C25H31N3O3 — CID 14969545

IUPAC1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H31N3O3/c26-15-3-4-18-31-22-10-7-20(8-11-22)25(30)27-16-13-21(14-17-27)28-23-6-2-1-5-19(23)9-12-24(28)29/h1-2,5-8,10-11,21H,3-4,9,12-18,26H2
InChIKeyJYEGJTCCSINHGI-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.39
Rot. Bonds7

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

1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969545) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969545
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H31N3O3/c26-15-3-4-18-31-22-10-7-20(8-11-22)25(30)27-16-13-21(14-17-27)28-23-6-2-1-5-19(23)9-12-24(28)29/h1-2,5-8,10-11,21H,3-4,9,12-18,26H2
InChIKeyJYEGJTCCSINHGI-UHFFFAOYSA-N
XLogP3.39
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969545) is 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one is NCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is JYEGJTCCSINHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c26-15-3-4-18-31-22-10-7-20(8-11-22)25(30)27-16-13-21(14-17-27)28-23-6-2-1-5-19(23)9-12-24(28)29/h1-2,5-8,10-11,21H,3-4,9,12-18,26H2.
What are the key properties of 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 421.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-aminobutoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).