2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H28N2O — CID 89108270

IUPAC2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILES[2H]c1c([2H])c([2H])c(N(C(=O)C([2H])([2H])C([2H])([2H])[2H])C2CCN(CCc3ccccc3)CC2)c([2H])c1[2H]
InChIInChI=1S/C22H28N2O/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/h3-12,21H,2,13-18H2,1H3/i1D3,2D2,4D,7D,8D,11D,12D
InChIKeyPJMPHNIQZUBGLI-IVXKECHKSA-N
MW346.54 g/mol
LogP4.14
Rot. Bonds7

About 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 89108270) has the molecular formula C22H28N2O and a molecular weight of 346.54 g/mol. Its IUPAC name is 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID89108270
Molecular FormulaC22H28N2O
Molecular Weight346.54 g/mol
Exact Mass346.28
IUPAC Name2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILES[2H]c1c([2H])c([2H])c(N(C(=O)C([2H])([2H])C([2H])([2H])[2H])C2CCN(CCc3ccccc3)CC2)c([2H])c1[2H]
InChIInChI=1S/C22H28N2O/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/h3-12,21H,2,13-18H2,1H3/i1D3,2D2,4D,7D,8D,11D,12D
InChIKeyPJMPHNIQZUBGLI-IVXKECHKSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-pentadeuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 59152705
2,2,3,3,3-pentadeuterio-N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)propanamide
CID 45107633
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
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-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
3,3,3-trideuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 44621110
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-[1-[2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]piperidin-4-yl]-N-phenylprop-2-enamide;hydrochloride
CID 169432770
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
but-2-enedioic acid;2-methylsulfanyl-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 3076327

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 89108270) is 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is [2H]c1c([2H])c([2H])c(N(C(=O)C([2H])([2H])C([2H])([2H])[2H])C2CCN(CCc3ccccc3)CC2)c([2H])c1[2H].
What is the InChIKey of 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is PJMPHNIQZUBGLI-IVXKECHKSA-N. The full InChI is InChI=1S/C22H28N2O/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/h3-12,21H,2,13-18H2,1H3/i1D3,2D2,4D,7D,8D,11D,12D.
What are the key properties of 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 346.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 89108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).