N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide

C22H28N2O2 — CID 149149599

IUPACN-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc(OC3CCNCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-5-4-6-18(15-17)24-21(25)16-7-9-19(10-8-16)26-20-11-13-23-14-12-20/h4-10,15,20,23H,11-14H2,1-3H3,(H,24,25)
InChIKeyCQPDSSZSCSPMSM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.37
Rot. Bonds4

About N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide

N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide (PubChem CID 149149599) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
PubChem CID149149599
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc(OC3CCNCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-5-4-6-18(15-17)24-21(25)16-7-9-19(10-8-16)26-20-11-13-23-14-12-20/h4-10,15,20,23H,11-14H2,1-3H3,(H,24,25)
InChIKeyCQPDSSZSCSPMSM-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
CID 146322592
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 172895263
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide?
The IUPAC name of N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide (CID 149149599) is N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide?
The canonical SMILES for N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide is CC(C)(C)c1cccc(NC(=O)c2ccc(OC3CCNCC3)cc2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide?
The InChIKey is CQPDSSZSCSPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)17-5-4-6-18(15-17)24-21(25)16-7-9-19(10-8-16)26-20-11-13-23-14-12-20/h4-10,15,20,23H,11-14H2,1-3H3,(H,24,25).
What are the key properties of N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide?
N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide has a molecular weight of 352.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide is sourced from PubChem (CID 149149599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).