3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide

C18H28N2O2 — CID 119555918

IUPAC3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCC1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-14(16-7-3-4-8-17(16)22-2)12-18(21)20-11-9-15-6-5-10-19-13-15/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3,(H,20,21)
InChIKeyGQPZGMGBSAQGNU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.69
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide

3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119555918) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119555918
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCC1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-14(16-7-3-4-8-17(16)22-2)12-18(21)20-11-9-15-6-5-10-19-13-15/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3,(H,20,21)
InChIKeyGQPZGMGBSAQGNU-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide (CID 119555918) is 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide is COc1ccccc1C(C)CC(=O)NCCC1CCCNC1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is GQPZGMGBSAQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(16-7-3-4-8-17(16)22-2)12-18(21)20-11-9-15-6-5-10-19-13-15/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide?
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119555918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).