1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide

C23H27N3O3 — CID 70048118

IUPAC1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-6-2-16(3-7-20)15-26-12-10-17(11-13-26)23(28)24-19-5-8-21-18(14-19)4-9-22(27)25-21/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyKMXAERRASCMUPS-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.43
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide (PubChem CID 70048118) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
PubChem CID70048118
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-6-2-16(3-7-20)15-26-12-10-17(11-13-26)23(28)24-19-5-8-21-18(14-19)4-9-22(27)25-21/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyKMXAERRASCMUPS-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256172
1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 92613775
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 86929823
1-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 16909192

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide (CID 70048118) is 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The InChIKey is KMXAERRASCMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-20-6-2-16(3-7-20)15-26-12-10-17(11-13-26)23(28)24-19-5-8-21-18(14-19)4-9-22(27)25-21/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70048118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).