heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol

C29H41NO5 — CID 70509224

IUPACheptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol
SMILESCCCCCCC(=O)O.O[C@H]1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C22H27NO3.C7H14O2/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18;1-2-3-4-5-6-7(8)9/h1-9,20-22,24H,10-16H2;2-6H2,1H3,(H,8,9)/t20-,21-,22-;/m0./s1
InChIKeyBOLOKCWBGAIFLL-SGIIKHNDSA-N
MW483.65 g/mol
LogP5.14
Rot. Bonds10

About heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol

heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol (PubChem CID 70509224) has the molecular formula C29H41NO5 and a molecular weight of 483.65 g/mol. Its IUPAC name is heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol.

Molecular Properties

Compound Nameheptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol
PubChem CID70509224
Molecular FormulaC29H41NO5
Molecular Weight483.65 g/mol
Exact Mass483.30
IUPAC Nameheptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol
SMILESCCCCCCC(=O)O.O[C@H]1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C22H27NO3.C7H14O2/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18;1-2-3-4-5-6-7(8)9/h1-9,20-22,24H,10-16H2;2-6H2,1H3,(H,8,9)/t20-,21-,22-;/m0./s1
InChIKeyBOLOKCWBGAIFLL-SGIIKHNDSA-N
XLogP5.14
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one
CID 57088599
7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 56636236
(Z)-7-[(1R,2S,5S)-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374533
(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid
CID 163892066
(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
CID 88689363
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[[4-(4-phenylphenyl)phenyl]methoxy]cyclopentyl]hept-4-enoic acid
CID 12786379
(Z)-7-[(1R,2R,3R,5S)-5-[(4-benzylphenyl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 12941384
N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 133265705
7-[(1R,2R,5S)-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 54463478
(Z)-7-[(1R,2R,3S,5S)-2-morpholin-4-yl-3-(oxan-2-yloxy)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374255
S-(methoxymethyl) (Z)-7-[(1R,2S)-2-morpholin-4-yl-3-oxo-4-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioate
CID 88739643
furan;octadecanoic acid
CID 160757356

Frequently Asked Questions

What is the IUPAC name of heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol?
The IUPAC name of heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol (CID 70509224) is heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol.
What is the SMILES notation for heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol?
The canonical SMILES for heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol is CCCCCCC(=O)O.O[C@H]1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1.
What is the InChIKey of heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol?
The InChIKey is BOLOKCWBGAIFLL-SGIIKHNDSA-N. The full InChI is InChI=1S/C22H27NO3.C7H14O2/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18;1-2-3-4-5-6-7(8)9/h1-9,20-22,24H,10-16H2;2-6H2,1H3,(H,8,9)/t20-,21-,22-;/m0./s1.
What are the key properties of heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol?
heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol has a molecular weight of 483.65 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol is sourced from PubChem (CID 70509224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).