N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C24H27N3O3 — CID 141265537

IUPACN-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCC(=O)C1CC(=O)Nc2cc(CN3CCC(NC(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O3/c1-16(28)21-14-23(29)26-22-13-17(7-8-20(21)22)15-27-11-9-19(10-12-27)25-24(30)18-5-3-2-4-6-18/h2-8,13,19,21H,9-12,14-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyOFSIQCKFTQACBF-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.10
Rot. Bonds5

About N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 141265537) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
PubChem CID141265537
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCC(=O)C1CC(=O)Nc2cc(CN3CCC(NC(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O3/c1-16(28)21-14-23(29)26-22-13-17(7-8-20(21)22)15-27-11-9-19(10-12-27)25-24(30)18-5-3-2-4-6-18/h2-8,13,19,21H,9-12,14-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyOFSIQCKFTQACBF-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256172
N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 55865593
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265536
3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256359
N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51163625
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 141265537) is N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is CC(=O)C1CC(=O)Nc2cc(CN3CCC(NC(=O)c4ccccc4)CC3)ccc21.
What is the InChIKey of N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is OFSIQCKFTQACBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(28)21-14-23(29)26-22-13-17(7-8-20(21)22)15-27-11-9-19(10-12-27)25-24(30)18-5-3-2-4-6-18/h2-8,13,19,21H,9-12,14-15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 141265537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).