4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide

C22H35N3O3 — CID 51221501

IUPAC4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCCCN2CCCCC2C)C(C)C)cc1
InChIInChI=1S/C22H35N3O3/c1-16(2)20(24-21(26)18-9-11-19(28-4)12-10-18)22(27)23-13-7-15-25-14-6-5-8-17(25)3/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeySDDHHYDTSDITIX-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.83
Rot. Bonds9

About 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 51221501) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
PubChem CID51221501
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCCCN2CCCCC2C)C(C)C)cc1
InChIInChI=1S/C22H35N3O3/c1-16(2)20(24-21(26)18-9-11-19(28-4)12-10-18)22(27)23-13-7-15-25-14-6-5-8-17(25)3/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeySDDHHYDTSDITIX-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.83
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

N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270
4-methoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 9472900
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide
CID 55713355
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide (CID 51221501) is 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NCCCN2CCCCC2C)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is SDDHHYDTSDITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16(2)20(24-21(26)18-9-11-19(28-4)12-10-18)22(27)23-13-7-15-25-14-6-5-8-17(25)3/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51221501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).