4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide

C26H34N2O2 — CID 108561415

IUPAC4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-18(2)19-6-8-21(9-7-19)25(30)28-16-14-23(15-17-28)27-24(29)20-10-12-22(13-11-20)26(3,4)5/h6-13,18,23H,14-17H2,1-5H3,(H,27,29)
InChIKeyYOSXDZMNWIXVEG-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.14
Rot. Bonds4

About 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide

4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108561415) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108561415
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-18(2)19-6-8-21(9-7-19)25(30)28-16-14-23(15-17-28)27-24(29)20-10-12-22(13-11-20)26(3,4)5/h6-13,18,23H,14-17H2,1-5H3,(H,27,29)
InChIKeyYOSXDZMNWIXVEG-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
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
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide (CID 108561415) is 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide is CC(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is YOSXDZMNWIXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-18(2)19-6-8-21(9-7-19)25(30)28-16-14-23(15-17-28)27-24(29)20-10-12-22(13-11-20)26(3,4)5/h6-13,18,23H,14-17H2,1-5H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).