N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide

C19H30N2O — CID 133167577

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2O/c1-4-18-8-5-6-12-21(18)13-7-11-20-19(22)17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H,20,22)
InChIKeyUKICWSOYPQBRQV-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.69
Rot. Bonds6

About N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide (PubChem CID 133167577) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
PubChem CID133167577
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2O/c1-4-18-8-5-6-12-21(18)13-7-11-20-19(22)17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H,20,22)
InChIKeyUKICWSOYPQBRQV-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide 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

3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
CID 20968455
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100685707
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide (CID 133167577) is N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide is CCC1CCCCN1CCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide?
The InChIKey is UKICWSOYPQBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-18-8-5-6-12-21(18)13-7-11-20-19(22)17-10-9-15(2)16(3)14-17/h9-10,14,18H,4-8,11-13H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide has a molecular weight of 302.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 133167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).