3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide

C16H24N2O2 — CID 120573713

IUPAC3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCCNC1C
InChIInChI=1S/C16H24N2O2/c1-12-14(7-5-11-17-12)18-16(19)10-9-13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeySEQRSYRPSXELOE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide

3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120573713) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120573713
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1CCCNC1C
InChIInChI=1S/C16H24N2O2/c1-12-14(7-5-11-17-12)18-16(19)10-9-13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeySEQRSYRPSXELOE-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120573713) is 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide is COc1ccccc1CCC(=O)NC1CCCNC1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is SEQRSYRPSXELOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-14(7-5-11-17-12)18-16(19)10-9-13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14,17H,5,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide?
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 5 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-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120573713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).