4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide

C24H32N2O — CID 174749205

IUPAC4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(CCN3CCCCC3)c2)cc1
InChIInChI=1S/C24H32N2O/c1-24(2,3)21-12-10-20(11-13-21)23(27)25-22-9-7-8-19(18-22)14-17-26-15-5-4-6-16-26/h7-13,18H,4-6,14-17H2,1-3H3,(H,25,27)
InChIKeyTWQXHVRDZATXSA-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.26
Rot. Bonds5

About 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide

4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide (PubChem CID 174749205) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
PubChem CID174749205
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(CCN3CCCCC3)c2)cc1
InChIInChI=1S/C24H32N2O/c1-24(2,3)21-12-10-20(11-13-21)23(27)25-22-9-7-8-19(18-22)14-17-26-15-5-4-6-16-26/h7-13,18H,4-6,14-17H2,1-3H3,(H,25,27)
InChIKeyTWQXHVRDZATXSA-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 143229247
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-[[4-(2-piperidin-1-ylethyl)anilino]methyl]benzoic acid
CID 122029535
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide (CID 174749205) is 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(CCN3CCCCC3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide?
The InChIKey is TWQXHVRDZATXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-24(2,3)21-12-10-20(11-13-21)23(27)25-22-9-7-8-19(18-22)14-17-26-15-5-4-6-16-26/h7-13,18H,4-6,14-17H2,1-3H3,(H,25,27).
What are the key properties of 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide?
4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide is sourced from PubChem (CID 174749205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).