3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide

C17H26N2O2 — CID 90944408

IUPAC3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13(15-6-4-5-7-16(15)21-3)12-17(20)18-14-8-10-19(2)11-9-14/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
InChIKeyAFJHLPNWMJNJDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide

3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 90944408) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID90944408
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13(15-6-4-5-7-16(15)21-3)12-17(20)18-14-8-10-19(2)11-9-14/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)
InChIKeyAFJHLPNWMJNJDD-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide (CID 90944408) is 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide is COc1ccccc1C(C)CC(=O)NC1CCN(C)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is AFJHLPNWMJNJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(15-6-4-5-7-16(15)21-3)12-17(20)18-14-8-10-19(2)11-9-14/h4-7,13-14H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide?
3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 90944408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).