2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone

C16H28N2O2 — CID 110108066

IUPAC2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C16H28N2O2/c19-15-12-18(11-14(15)17-8-4-5-9-17)16(20)10-13-6-2-1-3-7-13/h13-15,19H,1-12H2/t14-,15-/m1/s1
InChIKeyHVVZGSHVOMWSKG-HUUCEWRRSA-N
MW280.41 g/mol
LogP1.62
Rot. Bonds3

About 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone (PubChem CID 110108066) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
PubChem CID110108066
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C16H28N2O2/c19-15-12-18(11-14(15)17-8-4-5-9-17)16(20)10-13-6-2-1-3-7-13/h13-15,19H,1-12H2/t14-,15-/m1/s1
InChIKeyHVVZGSHVOMWSKG-HUUCEWRRSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
2-cyclopentyl-1-[(3S,4S)-3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidin-1-yl]ethanone
CID 56867819
2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108181
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
2-cyclopentyl-1-[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 110128388
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
(3S,4S)-1-(2-cyclohexylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950466
1-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91773834
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone (CID 110108066) is 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone is O=C(CC1CCCCC1)N1C[C@@H](O)[C@H](N2CCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The InChIKey is HVVZGSHVOMWSKG-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15-12-18(11-14(15)17-8-4-5-9-17)16(20)10-13-6-2-1-3-7-13/h13-15,19H,1-12H2/t14-,15-/m1/s1.
What are the key properties of 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110108066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).