N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide

C25H33N3O3 — CID 86954895

IUPACN-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(C2C(CNC(=O)CCCNC(=O)c3ccccc3)CCCN2C)cc1
InChIInChI=1S/C25H33N3O3/c1-28-17-7-10-21(24(28)19-12-14-22(31-2)15-13-19)18-27-23(29)11-6-16-26-25(30)20-8-4-3-5-9-20/h3-5,8-9,12-15,21,24H,6-7,10-11,16-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIRHOPQYYYBUDSS-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.40
Rot. Bonds9

About N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide

N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide (PubChem CID 86954895) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
PubChem CID86954895
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(C2C(CNC(=O)CCCNC(=O)c3ccccc3)CCCN2C)cc1
InChIInChI=1S/C25H33N3O3/c1-28-17-7-10-21(24(28)19-12-14-22(31-2)15-13-19)18-27-23(29)11-6-16-26-25(30)20-8-4-3-5-9-20/h3-5,8-9,12-15,21,24H,6-7,10-11,16-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIRHOPQYYYBUDSS-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954866
2-(3-acetylphenoxy)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954979
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methyl-3-nitrobenzamide
CID 86955076
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide
CID 86954958
1-butyl-3-[[2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl]urea
CID 75371863
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide (CID 86954895) is N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide is COc1ccc(C2C(CNC(=O)CCCNC(=O)c3ccccc3)CCCN2C)cc1.
What is the InChIKey of N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide?
The InChIKey is IRHOPQYYYBUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-28-17-7-10-21(24(28)19-12-14-22(31-2)15-13-19)18-27-23(29)11-6-16-26-25(30)20-8-4-3-5-9-20/h3-5,8-9,12-15,21,24H,6-7,10-11,16-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide?
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 86954895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).