2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid

C23H27NO3 — CID 119178891

IUPAC2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(24-13-11-19(12-14-24)16-23(26)27)17-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,26,27)
InChIKeyPMOADTWSIUCQHK-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.12
Rot. Bonds7

About 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid

2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid (PubChem CID 119178891) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
PubChem CID119178891
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(24-13-11-19(12-14-24)16-23(26)27)17-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,26,27)
InChIKeyPMOADTWSIUCQHK-UHFFFAOYSA-N
XLogP4.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
1-(1,4-diazepan-1-yl)-3,4-diphenylbutan-1-one
CID 119416394
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one
CID 119423610
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid (CID 119178891) is 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid?
The InChIKey is PMOADTWSIUCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-22(24-13-11-19(12-14-24)16-23(26)27)17-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,26,27).
What are the key properties of 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid?
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid has a molecular weight of 365.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).