2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium

C27H36N2O2Y-2 — CID 153116157

IUPAC2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
SMILESCCC(=O)N(c1ccccc1)C1([C-]=O)CCN(CCc2ccccc2)CC1.C[C-](C)C.[Y]
InChIInChI=1S/C23H27N2O2.C4H9.Y/c1-2-22(27)25(21-11-7-4-8-12-21)23(19-26)14-17-24(18-15-23)16-13-20-9-5-3-6-10-20;1-4(2)3;/h3-12H,2,13-18H2,1H3;1-3H3;/q2*-1;
InChIKeyOIMCRRYNDSHOJK-UHFFFAOYSA-N
MW509.50 g/mol
LogP5.23
Rot. Bonds7

About 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium

2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium (PubChem CID 153116157) has the molecular formula C27H36N2O2Y-2 and a molecular weight of 509.50 g/mol. Its IUPAC name is 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium.

Molecular Properties

Compound Name2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
PubChem CID153116157
Molecular FormulaC27H36N2O2Y-2
Molecular Weight509.50 g/mol
Exact Mass509.18
IUPAC Name2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
SMILESCCC(=O)N(c1ccccc1)C1([C-]=O)CCN(CCc2ccccc2)CC1.C[C-](C)C.[Y]
InChIInChI=1S/C23H27N2O2.C4H9.Y/c1-2-22(27)25(21-11-7-4-8-12-21)23(19-26)14-17-24(18-15-23)16-13-20-9-5-3-6-10-20;1-4(2)3;/h3-12H,2,13-18H2,1H3;1-3H3;/q2*-1;
InChIKeyOIMCRRYNDSHOJK-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
CID 70611057
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
(7-butoxy-4-oxoheptyl) 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163569430
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
CID 153395447

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium?
The IUPAC name of 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium (CID 153116157) is 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium.
What is the SMILES notation for 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium?
The canonical SMILES for 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium is CCC(=O)N(c1ccccc1)C1([C-]=O)CCN(CCc2ccccc2)CC1.C[C-](C)C.[Y].
What is the InChIKey of 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium?
The InChIKey is OIMCRRYNDSHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N2O2.C4H9.Y/c1-2-22(27)25(21-11-7-4-8-12-21)23(19-26)14-17-24(18-15-23)16-13-20-9-5-3-6-10-20;1-4(2)3;/h3-12H,2,13-18H2,1H3;1-3H3;/q2*-1;.
What are the key properties of 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium?
2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium has a molecular weight of 509.50 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium is sourced from PubChem (CID 153116157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).