(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one

C24H36N2O2 — CID 140837543

IUPAC(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one
SMILESCC(C)c1ccccc1N1CCN(CCC[C@@H]2CC3(CCCC3)C(=O)O2)CC1
InChIInChI=1S/C24H36N2O2/c1-19(2)21-9-3-4-10-22(21)26-16-14-25(15-17-26)13-7-8-20-18-24(23(27)28-20)11-5-6-12-24/h3-4,9-10,19-20H,5-8,11-18H2,1-2H3/t20-/m1/s1
InChIKeyRGSOVLUJSNLSRU-HXUWFJFHSA-N
MW384.56 g/mol
LogP4.59
Rot. Bonds6

About (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one

(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one (PubChem CID 140837543) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one
PubChem CID140837543
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one
SMILESCC(C)c1ccccc1N1CCN(CCC[C@@H]2CC3(CCCC3)C(=O)O2)CC1
InChIInChI=1S/C24H36N2O2/c1-19(2)21-9-3-4-10-22(21)26-16-14-25(15-17-26)13-7-8-20-18-24(23(27)28-20)11-5-6-12-24/h3-4,9-10,19-20H,5-8,11-18H2,1-2H3/t20-/m1/s1
InChIKeyRGSOVLUJSNLSRU-HXUWFJFHSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one;hydrochloride
CID 140837655
8-ethyl-3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 158821772
(3S)-3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837613
(3S)-3-[2-[4-(2-pyrrol-1-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837591
(3S)-3-[2-(4-anthracen-1-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837521
(3R)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837585
(3S)-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837559
4-[4-[2-(1-oxo-2-oxaspiro[4.5]decan-3-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 122688570
3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 149302733
(3S)-3-[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837595
3-[2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 86273130
3-[2-[4-(1H-inden-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 135298878

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one (CID 140837543) is (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one is CC(C)c1ccccc1N1CCN(CCC[C@@H]2CC3(CCCC3)C(=O)O2)CC1.
What is the InChIKey of (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is RGSOVLUJSNLSRU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-19(2)21-9-3-4-10-22(21)26-16-14-25(15-17-26)13-7-8-20-18-24(23(27)28-20)11-5-6-12-24/h3-4,9-10,19-20H,5-8,11-18H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one?
(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 384.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 140837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).