2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide

C16H23N3O2 — CID 8540742

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/t12-,13-/m0/s1
InChIKeyYYLAUBZWHDAVPM-STQMWFEESA-N
MW289.38 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 8540742) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID8540742
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/t12-,13-/m0/s1
InChIKeyYYLAUBZWHDAVPM-STQMWFEESA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27151553
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8540814
(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 95336199
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide (CID 8540742) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide is C[C@H]1C[C@H](C)CN(CC(=O)NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is YYLAUBZWHDAVPM-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/t12-,13-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 8540742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).