4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide

C23H27BrN2O2 — CID 108550518

IUPAC4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C23H27BrN2O2/c1-23(2,3)18-8-4-17(5-9-18)22(28)26-14-12-20(13-15-26)25-21(27)16-6-10-19(24)11-7-16/h4-11,20H,12-15H2,1-3H3,(H,25,27)
InChIKeyGKKLUGVJAGPWPW-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.78
Rot. Bonds3

About 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide

4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108550518) has the molecular formula C23H27BrN2O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108550518
Molecular FormulaC23H27BrN2O2
Molecular Weight443.39 g/mol
Exact Mass442.13
IUPAC Name4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C23H27BrN2O2/c1-23(2,3)18-8-4-17(5-9-18)22(28)26-14-12-20(13-15-26)25-21(27)16-6-10-19(24)11-7-16/h4-11,20H,12-15H2,1-3H3,(H,25,27)
InChIKeyGKKLUGVJAGPWPW-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide (CID 108550518) is 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is GKKLUGVJAGPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O2/c1-23(2,3)18-8-4-17(5-9-18)22(28)26-14-12-20(13-15-26)25-21(27)16-6-10-19(24)11-7-16/h4-11,20H,12-15H2,1-3H3,(H,25,27).
What are the key properties of 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide?
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 443.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).