N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide

C16H24N2O — CID 739968

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

About N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide

N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 739968) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID739968
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-6-7-14(2)15(12-13)17-16(19)8-11-18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyIJWYWOWSWPMWFQ-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide (CID 739968) is N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide is Cc1ccc(C)c(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is IJWYWOWSWPMWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-7-14(2)15(12-13)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-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
N-(2,5-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-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).