3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide

C17H26N2O2 — CID 102960001

IUPAC3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC1CCN(CC(C)(C)C(=O)Nc2ccccc2)CC1O
InChIInChI=1S/C17H26N2O2/c1-13-9-10-19(11-15(13)20)12-17(2,3)16(21)18-14-7-5-4-6-8-14/h4-8,13,15,20H,9-12H2,1-3H3,(H,18,21)
InChIKeyNKMQGVRMJYNYAB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds4

About 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide

3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide (PubChem CID 102960001) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide
PubChem CID102960001
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC1CCN(CC(C)(C)C(=O)Nc2ccccc2)CC1O
InChIInChI=1S/C17H26N2O2/c1-13-9-10-19(11-15(13)20)12-17(2,3)16(21)18-14-7-5-4-6-8-14/h4-8,13,15,20H,9-12H2,1-3H3,(H,18,21)
InChIKeyNKMQGVRMJYNYAB-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide (CID 102960001) is 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide is CC1CCN(CC(C)(C)C(=O)Nc2ccccc2)CC1O.
What is the InChIKey of 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is NKMQGVRMJYNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-9-10-19(11-15(13)20)12-17(2,3)16(21)18-14-7-5-4-6-8-14/h4-8,13,15,20H,9-12H2,1-3H3,(H,18,21).
What are the key properties of 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 102960001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).