2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C26H29N3O3 — CID 42859056

IUPAC2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCc3cccc(C)c3)co2)CC1
InChIInChI=1S/C26H29N3O3/c1-19-7-6-8-21(15-19)16-27-25(31)23-18-32-24(28-23)17-29-13-11-26(12-14-29,20(2)30)22-9-4-3-5-10-22/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,31)
InChIKeyKYZMFJNTJUQHEU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.04
Rot. Bonds7

About 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42859056) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42859056
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCc3cccc(C)c3)co2)CC1
InChIInChI=1S/C26H29N3O3/c1-19-7-6-8-21(15-19)16-27-25(31)23-18-32-24(28-23)17-29-13-11-26(12-14-29,20(2)30)22-9-4-3-5-10-22/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,31)
InChIKeyKYZMFJNTJUQHEU-UHFFFAOYSA-N
XLogP4.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 42859054
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42858835
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
N-benzyl-2-[[(3-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42831954
2-[[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 92986125
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
1-[1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 56888771

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 42859056) is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCc3cccc(C)c3)co2)CC1.
What is the InChIKey of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KYZMFJNTJUQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-7-6-8-21(15-19)16-27-25(31)23-18-32-24(28-23)17-29-13-11-26(12-14-29,20(2)30)22-9-4-3-5-10-22/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,31).
What are the key properties of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42859056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).