1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one

C21H32N2O — CID 10236758

IUPAC1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
InChIKeyPHMGZAICAOYEAF-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.26
Rot. Bonds7

About 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one

1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 10236758) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
PubChem CID10236758
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
InChIKeyPHMGZAICAOYEAF-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one (CID 10236758) is 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one is CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PHMGZAICAOYEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3.
What are the key properties of 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 328.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10236758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).