2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide

C24H31N3O3 — CID 171143895

IUPAC2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCN(C)c3ccccc3)CCC(=O)N2C)cc1
InChIInChI=1S/C24H31N3O3/c1-26(19-8-5-4-6-9-19)17-7-16-25-24(29)21-14-15-22(28)27(2)23(21)18-10-12-20(30-3)13-11-18/h4-6,8-13,21,23H,7,14-17H2,1-3H3,(H,25,29)
InChIKeyZUICZJGCIVHBFA-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.25
Rot. Bonds8

About 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide

2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 171143895) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID171143895
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCN(C)c3ccccc3)CCC(=O)N2C)cc1
InChIInChI=1S/C24H31N3O3/c1-26(19-8-5-4-6-9-19)17-7-16-25-24(29)21-14-15-22(28)27(2)23(21)18-10-12-20(30-3)13-11-18/h4-6,8-13,21,23H,7,14-17H2,1-3H3,(H,25,29)
InChIKeyZUICZJGCIVHBFA-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
(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
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
2-(4-methoxyphenyl)-N,1-dimethyl-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 171130298

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide (CID 171143895) is 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCCCN(C)c3ccccc3)CCC(=O)N2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZUICZJGCIVHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26(19-8-5-4-6-9-19)17-7-16-25-24(29)21-14-15-22(28)27(2)23(21)18-10-12-20(30-3)13-11-18/h4-6,8-13,21,23H,7,14-17H2,1-3H3,(H,25,29).
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.25, 8 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-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 171143895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).