2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C17H30N2O2 — CID 129427736

IUPAC2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)COC1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-21-14-7-3-2-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyGKCNYZDLWVXJEP-JKSUJKDBSA-N
MW294.44 g/mol
LogP2.42
Rot. Bonds4

About 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 129427736) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID129427736
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)COC1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-21-14-7-3-2-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyGKCNYZDLWVXJEP-JKSUJKDBSA-N
XLogP2.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 95606254
3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95291855
cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
CID 124699624
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
2-(2-methoxy-5-methylphenyl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95736155
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
CID 95622453

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 129427736) is 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)COC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is GKCNYZDLWVXJEP-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-21-14-7-3-2-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129427736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).