2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C19H30N2O — CID 100709827

IUPAC2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCCN2CCC(C)CC2)cc1C
InChIInChI=1S/C19H30N2O/c1-14-6-10-21(11-7-14)9-5-8-20-19(22)18-13-16(3)15(2)12-17(18)4/h12-14H,5-11H2,1-4H3,(H,20,22)
InChIKeyUNSYDAAQBVNALP-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.46
Rot. Bonds5

About 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 100709827) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID100709827
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCCN2CCC(C)CC2)cc1C
InChIInChI=1S/C19H30N2O/c1-14-6-10-21(11-7-14)9-5-8-20-19(22)18-13-16(3)15(2)12-17(18)4/h12-14H,5-11H2,1-4H3,(H,20,22)
InChIKeyUNSYDAAQBVNALP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 50945337
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 100709827) is 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is Cc1cc(C)c(C(=O)NCCCN2CCC(C)CC2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is UNSYDAAQBVNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-6-10-21(11-7-14)9-5-8-20-19(22)18-13-16(3)15(2)12-17(18)4/h12-14H,5-11H2,1-4H3,(H,20,22).
What are the key properties of 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 302.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 100709827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).