2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide

C17H27N3O2 — CID 146401967

IUPAC2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide
SMILESCc1cnccc1OCC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-13-11-18-8-5-15(13)22-12-17(2,3)16(21)19-14-6-9-20(4)10-7-14/h5,8,11,14H,6-7,9-10,12H2,1-4H3,(H,19,21)
InChIKeySGHVEUCADLSVTE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.01
Rot. Bonds5

About 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide

2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide (PubChem CID 146401967) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide
PubChem CID146401967
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide
SMILESCc1cnccc1OCC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-13-11-18-8-5-15(13)22-12-17(2,3)16(21)19-14-6-9-20(4)10-7-14/h5,8,11,14H,6-7,9-10,12H2,1-4H3,(H,19,21)
InChIKeySGHVEUCADLSVTE-UHFFFAOYSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11045457, Example 110
CID 146401856
US11045457, Example 33
CID 146422009
2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454365
N-[(1S,2R)-2-phenylcyclopropyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 76332320
1-(2,2-Dimethylpyrano[3,2-c]pyridin-4-yl)piperidin-2-one
CID 14743491
US11203600, Example 35
CID 142475974
US11045457, Example 91
CID 146401824
US11045457, Example 139
CID 146401826
US11045457, Example 105
CID 146401832
US11045457, Example 158
CID 146401848
US11045457, Example 160
CID 146401890
US11045457, Example 122
CID 146401893

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide (CID 146401967) is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide is Cc1cnccc1OCC(C)(C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide?
The InChIKey is SGHVEUCADLSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-11-18-8-5-15(13)22-12-17(2,3)16(21)19-14-6-9-20(4)10-7-14/h5,8,11,14H,6-7,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide?
2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-4-pyridinyl)oxy]propanamide is sourced from PubChem (CID 146401967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).