7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one

C31H38N2O3 — CID 42690372

IUPAC7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C31H38N2O3/c1-22(2)28-19-30(34)33(20-25-9-6-10-25)29-18-26(11-12-27(28)29)36-21-31(35)32-15-13-24(14-16-32)17-23-7-4-3-5-8-23/h3-5,7-8,11-12,18-19,22,24-25H,6,9-10,13-17,20-21H2,1-2H3
InChIKeyRTFVBZFJBVSONU-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.79
Rot. Bonds8

About 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one

7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one (PubChem CID 42690372) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one
PubChem CID42690372
Molecular FormulaC31H38N2O3
Molecular Weight486.66 g/mol
Exact Mass486.29
IUPAC Name7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C31H38N2O3/c1-22(2)28-19-30(34)33(20-25-9-6-10-25)29-18-26(11-12-27(28)29)36-21-31(35)32-15-13-24(14-16-32)17-23-7-4-3-5-8-23/h3-5,7-8,11-12,18-19,22,24-25H,6,9-10,13-17,20-21H2,1-2H3
InChIKeyRTFVBZFJBVSONU-UHFFFAOYSA-N
XLogP5.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one with MolForge

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Related Compounds

7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
CID 42690353
1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one
CID 42877941
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
1-[(3-fluorophenyl)methyl]-7-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethoxy]-4-propan-2-ylquinolin-2-one
CID 42878022
1-(4-benzylpiperidin-1-yl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238340
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one?
The IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one (CID 42690372) is 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one.
What is the SMILES notation for 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one?
The canonical SMILES for 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one is CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc12.
What is the InChIKey of 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one?
The InChIKey is RTFVBZFJBVSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-22(2)28-19-30(34)33(20-25-9-6-10-25)29-18-26(11-12-27(28)29)36-21-31(35)32-15-13-24(14-16-32)17-23-7-4-3-5-8-23/h3-5,7-8,11-12,18-19,22,24-25H,6,9-10,13-17,20-21H2,1-2H3.
What are the key properties of 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one?
7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one has a molecular weight of 486.66 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one is sourced from PubChem (CID 42690372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).