N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate

C22H28N2O5S-2 — CID 53341505

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=S(=O)([O-])[O-]
InChIInChI=1S/C22H28N2O.H2O4S/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-5(2,3)4/h3-12,21H,2,13-18H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyQOLYMVJJIIACEH-UHFFFAOYSA-L
MW432.54 g/mol
LogP2.80
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate (PubChem CID 53341505) has the molecular formula C22H28N2O5S-2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
PubChem CID53341505
Molecular FormulaC22H28N2O5S-2
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=S(=O)([O-])[O-]
InChIInChI=1S/C22H28N2O.H2O4S/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-5(2,3)4/h3-12,21H,2,13-18H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyQOLYMVJJIIACEH-UHFFFAOYSA-L
XLogP2.80
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[1-[2-[4-(methanethioylamino)phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 154953055
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate (CID 53341505) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate is CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=S(=O)([O-])[O-].
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate?
The InChIKey is QOLYMVJJIIACEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H28N2O.H2O4S/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-5(2,3)4/h3-12,21H,2,13-18H2,1H3;(H2,1,2,3,4)/p-2.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate has a molecular weight of 432.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate is sourced from PubChem (CID 53341505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).