4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide

C25H32N2O3 — CID 171152885

IUPAC4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC(C(=O)N2CCCC(CO)C2)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)21-13-11-20(12-14-21)23(29)26-22(19-9-5-4-6-10-19)24(30)27-15-7-8-18(16-27)17-28/h4-6,9-14,18,22,28H,7-8,15-17H2,1-3H3,(H,26,29)
InChIKeyXNNLFXWJIAHIEL-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.69
Rot. Bonds5

About 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide

4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide (PubChem CID 171152885) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
PubChem CID171152885
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC(C(=O)N2CCCC(CO)C2)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O3/c1-25(2,3)21-13-11-20(12-14-21)23(29)26-22(19-9-5-4-6-10-19)24(30)27-15-7-8-18(16-27)17-28/h4-6,9-14,18,22,28H,7-8,15-17H2,1-3H3,(H,26,29)
InChIKeyXNNLFXWJIAHIEL-UHFFFAOYSA-N
XLogP3.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide (CID 171152885) is 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide is CC(C)(C)c1ccc(C(=O)NC(C(=O)N2CCCC(CO)C2)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is XNNLFXWJIAHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-25(2,3)21-13-11-20(12-14-21)23(29)26-22(19-9-5-4-6-10-19)24(30)27-15-7-8-18(16-27)17-28/h4-6,9-14,18,22,28H,7-8,15-17H2,1-3H3,(H,26,29).
What are the key properties of 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 171152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).