(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid

C23H27NO4 — CID 20993089

IUPAC(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H27NO4/c1-27-20-11-10-19(16-21(23(25)26)18-8-4-2-5-9-18)22(17-20)28-15-14-24-12-6-3-7-13-24/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,26)/b21-16-
InChIKeySDTPJPZJHWWQNK-PGMHBOJBSA-N
MW381.47 g/mol
LogP4.19
Rot. Bonds8

About (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid

(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid (PubChem CID 20993089) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
PubChem CID20993089
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H27NO4/c1-27-20-11-10-19(16-21(23(25)26)18-8-4-2-5-9-18)22(17-20)28-15-14-24-12-6-3-7-13-24/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,26)/b21-16-
InChIKeySDTPJPZJHWWQNK-PGMHBOJBSA-N
XLogP4.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20990461
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-phenyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20986724
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid (CID 20993089) is (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCCN2CCCCC2)c1.
What is the InChIKey of (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid?
The InChIKey is SDTPJPZJHWWQNK-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H27NO4/c1-27-20-11-10-19(16-21(23(25)26)18-8-4-2-5-9-18)22(17-20)28-15-14-24-12-6-3-7-13-24/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,26)/b21-16-.
What are the key properties of (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid?
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid has a molecular weight of 381.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 20993089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).