(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one

C18H32N2O2 — CID 97213320

IUPAC(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C18H32N2O2/c1-2-17(22-16-8-4-5-9-16)18(21)20-13-10-15(14-20)19-11-6-3-7-12-19/h15-17H,2-14H2,1H3/t15-,17+/m0/s1
InChIKeyXUSRLDQELVZGJF-DOTOQJQBSA-N
MW308.47 g/mol
LogP2.81
Rot. Bonds5

About (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one

(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 97213320) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
PubChem CID97213320
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C18H32N2O2/c1-2-17(22-16-8-4-5-9-16)18(21)20-13-10-15(14-20)19-11-6-3-7-12-19/h15-17H,2-14H2,1H3/t15-,17+/m0/s1
InChIKeyXUSRLDQELVZGJF-DOTOQJQBSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
CID 63514286
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
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-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one (CID 97213320) is (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one is CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1.
What is the InChIKey of (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is XUSRLDQELVZGJF-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-17(22-16-8-4-5-9-16)18(21)20-13-10-15(14-20)19-11-6-3-7-12-19/h15-17H,2-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one?
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 97213320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).