2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C17H26N2O3 — CID 25236643

IUPAC2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1OC
InChIInChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20)
InChIKeyFRYAQRWVUVRMSE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.31
Rot. Bonds5

About 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 25236643) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID25236643
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1OC
InChIInChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20)
InChIKeyFRYAQRWVUVRMSE-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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Related Compounds

2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 119048275

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 25236643) is 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is COc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is FRYAQRWVUVRMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,20).
What are the key properties of 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2,3-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 2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25236643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).