1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one

C26H33N3O3 — CID 14969546

IUPAC1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESNCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H33N3O3/c27-16-4-1-5-19-32-23-11-8-21(9-12-23)26(31)28-17-14-22(15-18-28)29-24-7-3-2-6-20(24)10-13-25(29)30/h2-3,6-9,11-12,22H,1,4-5,10,13-19,27H2
InChIKeyBNICCTVCUCXRHZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.78
Rot. Bonds8

About 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969546) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969546
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESNCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H33N3O3/c27-16-4-1-5-19-32-23-11-8-21(9-12-23)26(31)28-17-14-22(15-18-28)29-24-7-3-2-6-20(24)10-13-25(29)30/h2-3,6-9,11-12,22H,1,4-5,10,13-19,27H2
InChIKeyBNICCTVCUCXRHZ-UHFFFAOYSA-N
XLogP3.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.78
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-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969546) is 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one is NCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is BNICCTVCUCXRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c27-16-4-1-5-19-32-23-11-8-21(9-12-23)26(31)28-17-14-22(15-18-28)29-24-7-3-2-6-20(24)10-13-25(29)30/h2-3,6-9,11-12,22H,1,4-5,10,13-19,27H2.
What are the key properties of 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).