3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C24H29N3O4 — CID 45256172

IUPAC3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C24H29N3O4/c1-30-20-12-18(13-21(14-20)31-2)24(29)25-19-7-9-27(10-8-19)15-16-3-4-17-5-6-23(28)26-22(17)11-16/h3-4,11-14,19H,5-10,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyURKQIKJMJRDFFG-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.98
Rot. Bonds6

About 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 45256172) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
PubChem CID45256172
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C24H29N3O4/c1-30-20-12-18(13-21(14-20)31-2)24(29)25-19-7-9-27(10-8-19)15-16-3-4-17-5-6-23(28)26-22(17)11-16/h3-4,11-14,19H,5-10,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyURKQIKJMJRDFFG-UHFFFAOYSA-N
XLogP2.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256359
3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265536
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265537
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048118
N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 87283781
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 45256172) is 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is URKQIKJMJRDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-20-12-18(13-21(14-20)31-2)24(29)25-19-7-9-27(10-8-19)15-16-3-4-17-5-6-23(28)26-22(17)11-16/h3-4,11-14,19H,5-10,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 45256172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).