N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C25H31N5O — CID 14426363

IUPACN-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ncnn2C)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H31N5O/c1-3-23(31)30(22-12-8-5-9-13-22)25(24-26-20-27-28(24)2)15-18-29(19-16-25)17-14-21-10-6-4-7-11-21/h4-13,20H,3,14-19H2,1-2H3
InChIKeyFKFLADQNJMXTFZ-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.79
Rot. Bonds7

About N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426363) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426363
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ncnn2C)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H31N5O/c1-3-23(31)30(22-12-8-5-9-13-22)25(24-26-20-27-28(24)2)15-18-29(19-16-25)17-14-21-10-6-4-7-11-21/h4-13,20H,3,14-19H2,1-2H3
InChIKeyFKFLADQNJMXTFZ-UHFFFAOYSA-N
XLogP3.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide with MolForge

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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
N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426373
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
CID 153116157
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
CID 70611057
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461
N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
CID 153395447
N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426224
methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 102014816
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14426363) is N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2ncnn2C)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is FKFLADQNJMXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-3-23(31)30(22-12-8-5-9-13-22)25(24-26-20-27-28(24)2)15-18-29(19-16-25)17-14-21-10-6-4-7-11-21/h4-13,20H,3,14-19H2,1-2H3.
What are the key properties of N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 417.56 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).