[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

C27H30N2O3 — CID 18273294

IUPAC[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OC(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C27H30N2O3/c1-18-13-15-29(16-14-18)27(31)20(3)32-25(30)17-23-19(2)28-24-12-8-7-11-22(24)26(23)21-9-5-4-6-10-21/h4-12,18,20H,13-17H2,1-3H3
InChIKeyCJUOGFNNDGEUCN-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.94
Rot. Bonds5

About [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (PubChem CID 18273294) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
PubChem CID18273294
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OC(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C27H30N2O3/c1-18-13-15-29(16-14-18)27(31)20(3)32-25(30)17-23-19(2)28-24-12-8-7-11-22(24)26(23)21-9-5-4-6-10-21/h4-12,18,20H,13-17H2,1-3H3
InChIKeyCJUOGFNNDGEUCN-UHFFFAOYSA-N
XLogP4.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33359762
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
CID 86981009
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 55314439
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825302
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (CID 18273294) is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OC(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The InChIKey is CJUOGFNNDGEUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-13-15-29(16-14-18)27(31)20(3)32-25(30)17-23-19(2)28-24-12-8-7-11-22(24)26(23)21-9-5-4-6-10-21/h4-12,18,20H,13-17H2,1-3H3.
What are the key properties of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate has a molecular weight of 430.55 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 18273294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).