N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide

C21H38N2O2 — CID 50968622

IUPACN-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2CCN(C(C)C)CC2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H38N2O2/c1-15(2)23-11-9-18(10-12-23)21-14-19(22-16(3)24)13-20(25-21)17-7-5-4-6-8-17/h15,17-21H,4-14H2,1-3H3,(H,22,24)/t19-,20-,21+/m1/s1
InChIKeyBQDWZJLGBAODRC-NJYVYQBISA-N
MW350.55 g/mol
LogP3.74
Rot. Bonds4

About N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide (PubChem CID 50968622) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide
PubChem CID50968622
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC NameN-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C2CCN(C(C)C)CC2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H38N2O2/c1-15(2)23-11-9-18(10-12-23)21-14-19(22-16(3)24)13-20(25-21)17-7-5-4-6-8-17/h15,17-21H,4-14H2,1-3H3,(H,22,24)/t19-,20-,21+/m1/s1
InChIKeyBQDWZJLGBAODRC-NJYVYQBISA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide with MolForge

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Related Compounds

N-[1-(2-ethylcyclohexyl)piperidin-4-yl]oxane-4-carboxamide
CID 86817745
1-(4-Methylpiperazin-1-yl)-3-[[2-(2-methylpropyl)oxan-3-yl]amino]propan-1-one
CID 121526604
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
N-[(2R*,4R*,6S*)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50951237
N-[(3S,4R,5R)-1-[(5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 58962261
N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 59422787
N-[(3S,4R,5R)-1-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 70857068
N-[(3S,4R,5R)-1-[(3S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 71166989
N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 91802751
N-(9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 123513564
2-Methyl-1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
CID 123671696

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide (CID 50968622) is N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](C2CCN(C(C)C)CC2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide?
The InChIKey is BQDWZJLGBAODRC-NJYVYQBISA-N. The full InChI is InChI=1S/C21H38N2O2/c1-15(2)23-11-9-18(10-12-23)21-14-19(22-16(3)24)13-20(25-21)17-7-5-4-6-8-17/h15,17-21H,4-14H2,1-3H3,(H,22,24)/t19-,20-,21+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide has a molecular weight of 350.55 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50968622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).