(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid

C28H37NO3 — CID 13393888

IUPAC(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C/CCC1C(OCc2ccc3ccccc3c2)CCC1N1CCCCC1
InChIInChI=1S/C28H37NO3/c30-28(31)13-5-2-1-4-12-25-26(29-18-8-3-9-19-29)16-17-27(25)32-21-22-14-15-23-10-6-7-11-24(23)20-22/h1-2,6-7,10-11,14-15,20,25-27H,3-5,8-9,12-13,16-19,21H2,(H,30,31)/b2-1+
InChIKeyWIIPNNTUYUHQJS-OWOJBTEDSA-N
MW435.61 g/mol
LogP6.19
Rot. Bonds10

About (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid

(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid (PubChem CID 13393888) has the molecular formula C28H37NO3 and a molecular weight of 435.61 g/mol. Its IUPAC name is (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid.

Molecular Properties

Compound Name(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid
PubChem CID13393888
Molecular FormulaC28H37NO3
Molecular Weight435.61 g/mol
Exact Mass435.28
IUPAC Name(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C/CCC1C(OCc2ccc3ccccc3c2)CCC1N1CCCCC1
InChIInChI=1S/C28H37NO3/c30-28(31)13-5-2-1-4-12-25-26(29-18-8-3-9-19-29)16-17-27(25)32-21-22-14-15-23-10-6-7-11-24(23)20-22/h1-2,6-7,10-11,14-15,20,25-27H,3-5,8-9,12-13,16-19,21H2,(H,30,31)/b2-1+
InChIKeyWIIPNNTUYUHQJS-OWOJBTEDSA-N
XLogP6.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(5-phenylthiophen-3-yl)methoxy]-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid
CID 70469969
7-[(1R,2S,5S)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 54123135
(Z)-7-[(1R,2S,5S)-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374533
benzhydryl (Z)-7-[(1S,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]hept-4-enoate
CID 70469584
2-[4-[[(1S,2S,3R)-3-(azepan-1-yl)-2-(5-carboxypent-2-enoxy)cyclopentyl]oxymethyl]phenyl]benzoic acid
CID 54336841
(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-[2-(hydroxymethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
CID 14371756
7-[(1R,2R,3S,5S)-3-hydroxy-5-[[4-(4-hydroxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
CID 70377962
(Z)-7-[(1R,2R,3S,5S)-5-[(4-boronophenyl)methoxy]-3-hydroxy-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
CID 70374496
(E)-7-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-3-oxo-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
CID 12786406
(Z)-6-[(1R,2S,5S)-2-[3-(4-phenylphenyl)propoxy]-5-piperidin-1-ylcyclopentyl]oxyhex-4-enoic acid
CID 70393170
7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 56636236
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-4-enoic acid
CID 70548536

Frequently Asked Questions

What is the IUPAC name of (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid?
The IUPAC name of (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid (CID 13393888) is (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid.
What is the SMILES notation for (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid?
The canonical SMILES for (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid is O=C(O)CC/C=C/CCC1C(OCc2ccc3ccccc3c2)CCC1N1CCCCC1.
What is the InChIKey of (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid?
The InChIKey is WIIPNNTUYUHQJS-OWOJBTEDSA-N. The full InChI is InChI=1S/C28H37NO3/c30-28(31)13-5-2-1-4-12-25-26(29-18-8-3-9-19-29)16-17-27(25)32-21-22-14-15-23-10-6-7-11-24(23)20-22/h1-2,6-7,10-11,14-15,20,25-27H,3-5,8-9,12-13,16-19,21H2,(H,30,31)/b2-1+.
What are the key properties of (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid?
(E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid has a molecular weight of 435.61 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[2-(naphthalen-2-ylmethoxy)-5-piperidin-1-ylcyclopentyl]hept-4-enoic acid is sourced from PubChem (CID 13393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).