3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one

C25H24N2O3 — CID 67013153

IUPAC3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
SMILESCOC1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C25H24N2O3/c1-30-21-14-16-27(17-15-21)25(29)20-9-6-18(7-10-20)8-13-24(28)23-12-11-19-4-2-3-5-22(19)26-23/h2-13,21H,14-17H2,1H3
InChIKeyLSPVXGPRISMBTE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.38
Rot. Bonds5

About 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one

3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one (PubChem CID 67013153) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
PubChem CID67013153
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
SMILESCOC1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C25H24N2O3/c1-30-21-14-16-27(17-15-21)25(29)20-9-6-18(7-10-20)8-13-24(28)23-12-11-19-4-2-3-5-22(19)26-23/h2-13,21H,14-17H2,1H3
InChIKeyLSPVXGPRISMBTE-UHFFFAOYSA-N
XLogP4.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013306
(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826
3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013506
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11595580
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 102964360
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one (CID 67013153) is 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one is COC1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The InChIKey is LSPVXGPRISMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-21-14-16-27(17-15-21)25(29)20-9-6-18(7-10-20)8-13-24(28)23-12-11-19-4-2-3-5-22(19)26-23/h2-13,21H,14-17H2,1H3.
What are the key properties of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one has a molecular weight of 400.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 67013153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).