1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one

C20H24N2O3 — CID 110883892

IUPAC1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)N1CCC(O)CC1
InChIInChI=1S/C20H24N2O3/c1-2-13-25-20-16(14-15-5-3-4-6-18(15)21-20)7-8-19(24)22-11-9-17(23)10-12-22/h3-8,14,17,23H,2,9-13H2,1H3
InChIKeyYMEBJEWLBURQMN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one

1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one (PubChem CID 110883892) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one
PubChem CID110883892
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one
SMILESCCCOc1nc2ccccc2cc1C=CC(=O)N1CCC(O)CC1
InChIInChI=1S/C20H24N2O3/c1-2-13-25-20-16(14-15-5-3-4-6-18(15)21-20)7-8-19(24)22-11-9-17(23)10-12-22/h3-8,14,17,23H,2,9-13H2,1H3
InChIKeyYMEBJEWLBURQMN-UHFFFAOYSA-N
XLogP3.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-propoxyquinolin-3-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 78826590
N-(2-methoxyethyl)-3-(2-propoxyquinolin-3-yl)prop-2-enamide
CID 78773841
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 60528635
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415977
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 92921074
(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
CID 75407554
(E)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 111561443
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 46409969
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(4-propoxyphenyl)prop-2-en-1-one
CID 84561806

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one (CID 110883892) is 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one is CCCOc1nc2ccccc2cc1C=CC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one?
The InChIKey is YMEBJEWLBURQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-13-25-20-16(14-15-5-3-4-6-18(15)21-20)7-8-19(24)22-11-9-17(23)10-12-22/h3-8,14,17,23H,2,9-13H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one?
1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one has a molecular weight of 340.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-(2-propoxyquinolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 110883892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).