2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone

C17H30N2O — CID 93394797

IUPAC2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC[C@H]1C1CCNCC1
InChIInChI=1S/C17H30N2O/c20-17(13-14-5-2-1-3-6-14)19-12-4-7-16(19)15-8-10-18-11-9-15/h14-16,18H,1-13H2/t16-/m0/s1
InChIKeyGFYGDRGHQFXQMF-INIZCTEOSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone (PubChem CID 93394797) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
PubChem CID93394797
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC[C@H]1C1CCNCC1
InChIInChI=1S/C17H30N2O/c20-17(13-14-5-2-1-3-6-14)19-12-4-7-16(19)15-8-10-18-11-9-15/h14-16,18H,1-13H2/t16-/m0/s1
InChIKeyGFYGDRGHQFXQMF-INIZCTEOSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylpyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 62675266
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
1-(2-cyclohexylpyrrolidin-1-yl)-2-(1,1-dioxothiolan-3-yl)ethanone
CID 56816745
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone (CID 93394797) is 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCC[C@H]1C1CCNCC1.
What is the InChIKey of 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone?
The InChIKey is GFYGDRGHQFXQMF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(13-14-5-2-1-3-6-14)19-12-4-7-16(19)15-8-10-18-11-9-15/h14-16,18H,1-13H2/t16-/m0/s1.
What are the key properties of 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone has a molecular weight of 278.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 93394797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).