2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C19H32N2O3 — CID 124785723

IUPAC2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(COC1CCCC1)N1CC[C@]2(C[C@H](N3CCCC3)CCO2)C1
InChIInChI=1S/C19H32N2O3/c22-18(14-23-17-5-1-2-6-17)21-11-8-19(15-21)13-16(7-12-24-19)20-9-3-4-10-20/h16-17H,1-15H2/t16-,19+/m1/s1
InChIKeyHNNVZKCDQMWWEZ-APWZRJJASA-N
MW336.48 g/mol
LogP2.19
Rot. Bonds4

About 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 124785723) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID124785723
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(COC1CCCC1)N1CC[C@]2(C[C@H](N3CCCC3)CCO2)C1
InChIInChI=1S/C19H32N2O3/c22-18(14-23-17-5-1-2-6-17)21-11-8-19(15-21)13-16(7-12-24-19)20-9-3-4-10-20/h16-17H,1-15H2/t16-,19+/m1/s1
InChIKeyHNNVZKCDQMWWEZ-APWZRJJASA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131692868
3-cyclopentyl-1-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91919085
2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462412
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078
1-[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462429
2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
CID 121203773
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
CID 82691820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 124785723) is 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is O=C(COC1CCCC1)N1CC[C@]2(C[C@H](N3CCCC3)CCO2)C1.
What is the InChIKey of 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is HNNVZKCDQMWWEZ-APWZRJJASA-N. The full InChI is InChI=1S/C19H32N2O3/c22-18(14-23-17-5-1-2-6-17)21-11-8-19(15-21)13-16(7-12-24-19)20-9-3-4-10-20/h16-17H,1-15H2/t16-,19+/m1/s1.
What are the key properties of 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 124785723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).