N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide

C16H25N3O2 — CID 51725576

IUPACN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CCNC(=O)Cn2ccccc2=O)C1
InChIInChI=1S/C16H25N3O2/c1-13-9-14(2)11-18(10-13)8-6-17-15(20)12-19-7-4-3-5-16(19)21/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,17,20)/t13-,14+
InChIKeyJIRBYXDRSIMPDD-OKILXGFUSA-N
MW291.39 g/mol
LogP0.94
Rot. Bonds5

About N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 51725576) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID51725576
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CCNC(=O)Cn2ccccc2=O)C1
InChIInChI=1S/C16H25N3O2/c1-13-9-14(2)11-18(10-13)8-6-17-15(20)12-19-7-4-3-5-16(19)21/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,17,20)/t13-,14+
InChIKeyJIRBYXDRSIMPDD-OKILXGFUSA-N
XLogP0.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47036197
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 94115247
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 94116447
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]acetamide
CID 55723472
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
CID 94116441
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30470832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 51725576) is N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide is C[C@@H]1C[C@H](C)CN(CCNC(=O)Cn2ccccc2=O)C1.
What is the InChIKey of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is JIRBYXDRSIMPDD-OKILXGFUSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-9-14(2)11-18(10-13)8-6-17-15(20)12-19-7-4-3-5-16(19)21/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,17,20)/t13-,14+.
What are the key properties of N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 51725576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).