4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine

C24H38N2O3 — CID 135096793

IUPAC4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCCN3CCOCC3)cc1)C2
InChIInChI=1S/C24H38N2O3/c1-27-23-5-2-10-24(23)11-3-12-26(20-24)19-21-6-8-22(9-7-21)29-16-4-13-25-14-17-28-18-15-25/h6-9,23H,2-5,10-20H2,1H3/t23-,24+/m1/s1
InChIKeyGJMQHTDAHVYDPX-RPWUZVMVSA-N
MW402.58 g/mol
LogP3.57
Rot. Bonds8

About 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine

4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine (PubChem CID 135096793) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
PubChem CID135096793
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCCN3CCOCC3)cc1)C2
InChIInChI=1S/C24H38N2O3/c1-27-23-5-2-10-24(23)11-3-12-26(20-24)19-21-6-8-22(9-7-21)29-16-4-13-25-14-17-28-18-15-25/h6-9,23H,2-5,10-20H2,1H3/t23-,24+/m1/s1
InChIKeyGJMQHTDAHVYDPX-RPWUZVMVSA-N
XLogP3.57
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine with MolForge

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Related Compounds

2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
4-[3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propoxy]benzoic acid
CID 135094667
4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
CID 74230951
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
CID 77091167
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317278
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine (CID 135096793) is 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine is CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCCN3CCOCC3)cc1)C2.
What is the InChIKey of 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine?
The InChIKey is GJMQHTDAHVYDPX-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-27-23-5-2-10-24(23)11-3-12-26(20-24)19-21-6-8-22(9-7-21)29-16-4-13-25-14-17-28-18-15-25/h6-9,23H,2-5,10-20H2,1H3/t23-,24+/m1/s1.
What are the key properties of 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine?
4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine has a molecular weight of 402.58 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine is sourced from PubChem (CID 135096793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).