[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate

C22H28N2O2 — CID 174377756

IUPAC[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
SMILESN[C@@H](CCN1CCC(OC(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c23-21(19-9-5-2-6-10-19)13-16-24-14-11-20(12-15-24)26-22(25)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17,23H2/t21-/m0/s1
InChIKeyCFDLXLBNEQXSGB-NRFANRHFSA-N
MW352.48 g/mol
LogP3.33
Rot. Bonds7

About [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate

[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate (PubChem CID 174377756) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
PubChem CID174377756
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
SMILESN[C@@H](CCN1CCC(OC(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c23-21(19-9-5-2-6-10-19)13-16-24-14-11-20(12-15-24)26-22(25)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17,23H2/t21-/m0/s1
InChIKeyCFDLXLBNEQXSGB-NRFANRHFSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl 2-phenylacetate
CID 135066962
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
(4-oxocyclohexyl) 2-phenylacetate
CID 175483439
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate?
The IUPAC name of [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate (CID 174377756) is [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate.
What is the SMILES notation for [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate?
The canonical SMILES for [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate is N[C@@H](CCN1CCC(OC(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate?
The InChIKey is CFDLXLBNEQXSGB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c23-21(19-9-5-2-6-10-19)13-16-24-14-11-20(12-15-24)26-22(25)17-18-7-3-1-4-8-18/h1-10,20-21H,11-17,23H2/t21-/m0/s1.
What are the key properties of [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate?
[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate has a molecular weight of 352.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate is sourced from PubChem (CID 174377756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).