N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide

C16H24N2O2 — CID 62211493

IUPACN-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
SMILESCOc1cccc(N(C)C(=O)CCC2CCCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-18(14-7-5-8-15(12-14)20-2)16(19)10-9-13-6-3-4-11-17-13/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3
InChIKeyNEBMTHQLXHUJSE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds5

About N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide

N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide (PubChem CID 62211493) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
PubChem CID62211493
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
SMILESCOc1cccc(N(C)C(=O)CCC2CCCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-18(14-7-5-8-15(12-14)20-2)16(19)10-9-13-6-3-4-11-17-13/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3
InChIKeyNEBMTHQLXHUJSE-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide (CID 62211493) is N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide is COc1cccc(N(C)C(=O)CCC2CCCCN2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide?
The InChIKey is NEBMTHQLXHUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(14-7-5-8-15(12-14)20-2)16(19)10-9-13-6-3-4-11-17-13/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide?
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).