3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid

C19H27NO4 — CID 124686357

IUPAC3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-24-17-11-8-15(9-12-17)5-4-7-18(21)20-14-3-2-6-16(20)10-13-19(22)23/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyOBTAAKSDQDOBEZ-MRXNPFEDSA-N
MW333.43 g/mol
LogP3.26
Rot. Bonds8

About 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid (PubChem CID 124686357) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
PubChem CID124686357
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-24-17-11-8-15(9-12-17)5-4-7-18(21)20-14-3-2-6-16(20)10-13-19(22)23/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyOBTAAKSDQDOBEZ-MRXNPFEDSA-N
XLogP3.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 119466304
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 80658927
4-(4-methoxyphenyl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95346962
3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
CID 124683557
4-(4-methoxyphenyl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95342525
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
4-(4-methoxyphenyl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one
CID 95605795
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
CID 124691573
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
3-[(2R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 97338925

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid (CID 124686357) is 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid is COc1ccc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1.
What is the InChIKey of 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is OBTAAKSDQDOBEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO4/c1-24-17-11-8-15(9-12-17)5-4-7-18(21)20-14-3-2-6-16(20)10-13-19(22)23/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 333.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124686357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).