3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

C16H30N2O2 — CID 99851423

IUPAC3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CC(NCCC(=O)N2CCCC[C@H]2C)C[C@@H](C)O1
InChIInChI=1S/C16H30N2O2/c1-12-6-4-5-9-18(12)16(19)7-8-17-15-10-13(2)20-14(3)11-15/h12-15,17H,4-11H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyZAQIRTGGYARQRO-MGPQQGTHSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds4

About 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 99851423) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID99851423
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CC(NCCC(=O)N2CCCC[C@H]2C)C[C@@H](C)O1
InChIInChI=1S/C16H30N2O2/c1-12-6-4-5-9-18(12)16(19)7-8-17-15-10-13(2)20-14(3)11-15/h12-15,17H,4-11H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyZAQIRTGGYARQRO-MGPQQGTHSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
1-cyclopentyl-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110991497
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
CID 95271447
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (CID 99851423) is 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CC(NCCC(=O)N2CCCC[C@H]2C)C[C@@H](C)O1.
What is the InChIKey of 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is ZAQIRTGGYARQRO-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-6-4-5-9-18(12)16(19)7-8-17-15-10-13(2)20-14(3)11-15/h12-15,17H,4-11H2,1-3H3/t12-,13-,14-/m1/s1.
What are the key properties of 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 99851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).