2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide

C24H29N3O3 — CID 171143889

IUPAC2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccc4c(c3)N(C)CCC4)CCC(=O)N2C)cc1
InChIInChI=1S/C24H29N3O3/c1-26-14-4-5-16-6-9-18(15-21(16)26)25-24(29)20-12-13-22(28)27(2)23(20)17-7-10-19(30-3)11-8-17/h6-11,15,20,23H,4-5,12-14H2,1-3H3,(H,25,29)
InChIKeyVMOXEKOUEYESPE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide

2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 171143889) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
PubChem CID171143889
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccc4c(c3)N(C)CCC4)CCC(=O)N2C)cc1
InChIInChI=1S/C24H29N3O3/c1-26-14-4-5-16-6-9-18(15-21(16)26)25-24(29)20-12-13-22(28)27(2)23(20)17-7-10-19(30-3)11-8-17/h6-11,15,20,23H,4-5,12-14H2,1-3H3,(H,25,29)
InChIKeyVMOXEKOUEYESPE-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740324
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 110279403
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
CID 95740261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide (CID 171143889) is 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)Nc3ccc4c(c3)N(C)CCC4)CCC(=O)N2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is VMOXEKOUEYESPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-14-4-5-16-6-9-18(15-21(16)26)25-24(29)20-12-13-22(28)27(2)23(20)17-7-10-19(30-3)11-8-17/h6-11,15,20,23H,4-5,12-14H2,1-3H3,(H,25,29).
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide?
2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 171143889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).