2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide

C30H35N3O4 — CID 3884953

IUPAC2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C30H35N3O4/c1-20-15-17-33(18-16-20)25-14-13-23(32-30(35)28-26(36-3)11-8-12-27(28)37-4)19-24(25)29(34)31-21(2)22-9-6-5-7-10-22/h5-14,19-21H,15-18H2,1-4H3,(H,31,34)(H,32,35)
InChIKeyYCGSSDTVQARFRN-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.68
Rot. Bonds8

About 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide

2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 3884953) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID3884953
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C30H35N3O4/c1-20-15-17-33(18-16-20)25-14-13-23(32-30(35)28-26(36-3)11-8-12-27(28)37-4)19-24(25)29(34)31-21(2)22-9-6-5-7-10-22/h5-14,19-21H,15-18H2,1-4H3,(H,31,34)(H,32,35)
InChIKeyYCGSSDTVQARFRN-UHFFFAOYSA-N
XLogP5.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
2,6-dimethoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066476
5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide
CID 3900419
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 1063445

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 3884953) is 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is YCGSSDTVQARFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-20-15-17-33(18-16-20)25-14-13-23(32-30(35)28-26(36-3)11-8-12-27(28)37-4)19-24(25)29(34)31-21(2)22-9-6-5-7-10-22/h5-14,19-21H,15-18H2,1-4H3,(H,31,34)(H,32,35).
What are the key properties of 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide?
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 501.63 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 3884953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).