(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide

C18H32N2O3 — CID 99104158

IUPAC(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
SMILESC[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-13-8-7-9-16(12-13)23-15(3)17(21)19-14(2)18(22)20-10-5-4-6-11-20/h13-16H,4-12H2,1-3H3,(H,19,21)/t13-,14+,15-,16-/m1/s1
InChIKeyUPVJWFYWPGVHRP-QKPAOTATSA-N
MW324.46 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide

(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide (PubChem CID 99104158) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
PubChem CID99104158
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Name(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
SMILESC[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-13-8-7-9-16(12-13)23-15(3)17(21)19-14(2)18(22)20-10-5-4-6-11-20/h13-16H,4-12H2,1-3H3,(H,19,21)/t13-,14+,15-,16-/m1/s1
InChIKeyUPVJWFYWPGVHRP-QKPAOTATSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(3-methylcyclohexyl)oxypropan-1-one
CID 86961992
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
(2R)-1-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropan-1-one
CID 124721602
(2S)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-2-[(1S,3R)-3-methylcyclohexyl]oxypropan-1-one
CID 125146700
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466
3-[(3R)-1-[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]piperidin-3-yl]propanoic acid
CID 125149689

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide?
The IUPAC name of (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide (CID 99104158) is (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide is C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1.
What is the InChIKey of (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide?
The InChIKey is UPVJWFYWPGVHRP-QKPAOTATSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13-8-7-9-16(12-13)23-15(3)17(21)19-14(2)18(22)20-10-5-4-6-11-20/h13-16H,4-12H2,1-3H3,(H,19,21)/t13-,14+,15-,16-/m1/s1.
What are the key properties of (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide?
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide has a molecular weight of 324.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide is sourced from PubChem (CID 99104158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).