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

C16H24N2O3 — CID 772528

IUPACN-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-6-7-15(21-2)14(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)
InChIKeyUTUKQWGZHFYSRV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.52
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 772528) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide
PubChem CID772528
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-6-7-15(21-2)14(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)
InChIKeyUTUKQWGZHFYSRV-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide (CID 772528) is N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide is COc1ccc(OC)c(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is UTUKQWGZHFYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-6-7-15(21-2)14(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-dimethoxyphenyl)-3-piperidin-1-ylpropanamide?
N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 772528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).