2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid

C23H30N2O3 — CID 110161331

IUPAC2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
SMILESCOc1ccc(N2CCC(N(CCCc3ccccc3)CC(=O)O)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-28-22-11-9-20(10-12-22)24-16-13-21(14-17-24)25(18-23(26)27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,26,27)
InChIKeyVFUDTZPVUGTILG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.68
Rot. Bonds9

About 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid

2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid (PubChem CID 110161331) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
PubChem CID110161331
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
SMILESCOc1ccc(N2CCC(N(CCCc3ccccc3)CC(=O)O)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-28-22-11-9-20(10-12-22)24-16-13-21(14-17-24)25(18-23(26)27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,26,27)
InChIKeyVFUDTZPVUGTILG-UHFFFAOYSA-N
XLogP3.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenyl)ethyl-[1-(3-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161321
2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
CID 110161318
2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 110161312
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55917665
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
(3R,4S)-1-(4-methoxyphenyl)-3-(3-phenylpropyl)-4-(4-piperazin-1-ylphenyl)azetidin-2-one
CID 54087118
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 175657128

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid (CID 110161331) is 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid is COc1ccc(N2CCC(N(CCCc3ccccc3)CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid?
The InChIKey is VFUDTZPVUGTILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-28-22-11-9-20(10-12-22)24-16-13-21(14-17-24)25(18-23(26)27)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,26,27).
What are the key properties of 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid?
2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid has a molecular weight of 382.50 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid is sourced from PubChem (CID 110161331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).