N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide

C19H30N2O — CID 58977021

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC1CC(C)CN(CCNC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H30N2O/c1-14(2)17-5-7-18(8-6-17)19(22)20-9-10-21-12-15(3)11-16(4)13-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22)
InChIKeyHRYOZDDLPZUKIS-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 58977021) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
PubChem CID58977021
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC1CC(C)CN(CCNC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H30N2O/c1-14(2)17-5-7-18(8-6-17)19(22)20-9-10-21-12-15(3)11-16(4)13-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22)
InChIKeyHRYOZDDLPZUKIS-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide 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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide (CID 58977021) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide is CC1CC(C)CN(CCNC(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is HRYOZDDLPZUKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)17-5-7-18(8-6-17)19(22)20-9-10-21-12-15(3)11-16(4)13-21/h5-8,14-16H,9-13H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 302.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 58977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).