2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one

C18H33N3O2 — CID 120997669

IUPAC2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H33N3O2/c1-2-17(23-16-6-4-3-5-7-16)18(22)21-11-8-15(14-21)20-12-9-19-10-13-20/h15-17,19H,2-14H2,1H3
InChIKeyCKACEFNAYLRUKV-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.62
Rot. Bonds5

About 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one

2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 120997669) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
PubChem CID120997669
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H33N3O2/c1-2-17(23-16-6-4-3-5-7-16)18(22)21-11-8-15(14-21)20-12-9-19-10-13-20/h15-17,19H,2-14H2,1H3
InChIKeyCKACEFNAYLRUKV-UHFFFAOYSA-N
XLogP1.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997739
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120995473
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one (CID 120997669) is 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one is CCC(OC1CCCCC1)C(=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is CKACEFNAYLRUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-17(23-16-6-4-3-5-7-16)18(22)21-11-8-15(14-21)20-12-9-19-10-13-20/h15-17,19H,2-14H2,1H3.
What are the key properties of 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one?
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 323.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 120997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).