2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid

C24H29NO3 — CID 143009281

IUPAC2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CCC(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO3/c26-22(12-11-19-13-15-25(16-14-19)18-24(27)28)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,19,23H,11-18H2,(H,27,28)
InChIKeyXZBWSPFPNYTUQX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.35
Rot. Bonds9

About 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid

2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid (PubChem CID 143009281) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid
PubChem CID143009281
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CCC(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO3/c26-22(12-11-19-13-15-25(16-14-19)18-24(27)28)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,19,23H,11-18H2,(H,27,28)
InChIKeyXZBWSPFPNYTUQX-UHFFFAOYSA-N
XLogP4.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride
CID 70478194
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid (CID 143009281) is 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(CCC(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid?
The InChIKey is XZBWSPFPNYTUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-22(12-11-19-13-15-25(16-14-19)18-24(27)28)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,19,23H,11-18H2,(H,27,28).
What are the key properties of 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid?
2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid has a molecular weight of 379.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxo-5,5-diphenylpentyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 143009281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).