3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C16H24N2O2 — CID 75514876

IUPAC3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1CN1CCCC(CCC(N)=O)C1
InChIInChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)12-18-10-4-5-13(11-18)8-9-16(17)19/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,17,19)
InChIKeyASMBKJSCMDIAFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds6

About 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide

3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 75514876) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID75514876
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccccc1CN1CCCC(CCC(N)=O)C1
InChIInChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)12-18-10-4-5-13(11-18)8-9-16(17)19/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,17,19)
InChIKeyASMBKJSCMDIAFB-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide 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

3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25306733
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45187773
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 75514876) is 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1ccccc1CN1CCCC(CCC(N)=O)C1.
What is the InChIKey of 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is ASMBKJSCMDIAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)12-18-10-4-5-13(11-18)8-9-16(17)19/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,17,19).
What are the key properties of 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 75514876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).