2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C17H26N2O3 — CID 110751950

IUPAC2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20)
InChIKeyIFSLRXMDYPPXNU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.31
Rot. Bonds5

About 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 110751950) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID110751950
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20)
InChIKeyIFSLRXMDYPPXNU-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 110751950) is 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is COc1cccc(OC)c1C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is IFSLRXMDYPPXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20).
What are the key properties of 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110751950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).