3-methyl-N-(3-piperidin-1-ylpropyl)benzamide

C16H24N2O — CID 11543475

IUPAC3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-14-7-5-8-15(13-14)16(19)17-9-6-12-18-10-3-2-4-11-18/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,19)
InChIKeyPTWHYYXQNCLBNB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds5

About 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide

3-methyl-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 11543475) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID11543475
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-14-7-5-8-15(13-14)16(19)17-9-6-12-18-10-3-2-4-11-18/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,19)
InChIKeyPTWHYYXQNCLBNB-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
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

3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945403
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
3-(4-methyl-3-nitrophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide (CID 11543475) is 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCCCN2CCCCC2)c1.
What is the InChIKey of 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is PTWHYYXQNCLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-7-5-8-15(13-14)16(19)17-9-6-12-18-10-3-2-4-11-18/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 11543475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).