N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide

C16H24N2O — CID 771569

IUPACN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyRYLUNBKDAOJEKC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide

N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 771569) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID771569
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCCCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyRYLUNBKDAOJEKC-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide 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

Fentanyl
CID 3345
alpha-Methylfentanyl
CID 62281
N,N'-Diacetylbenzidine
CID 11942
p-Tolylfentanyl
CID 527013
p-Malonotoluidide
CID 95277
3',4'-Dimethylacetanilide
CID 75144
2',3'-Acetoxylidide
CID 8656
N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
1-(3,4-Xylyl)piperazine
CID 2723782
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 299693

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide (CID 771569) is N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide is Cc1ccc(NC(=O)CCN2CCCCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is RYLUNBKDAOJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-7-15(12-14(13)2)17-16(19)8-11-18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide?
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 771569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).